data_2kei_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 2kei _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 N--CA 1.459 -0.524 0 N-CA-C 110.886 -0.467 . . . . 2.2 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.543 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 26.9 t -105.94 167.76 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 106.469 -1.678 . . . . 1.47 106.469 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.4 p -139.08 165.18 27.81 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 118.042 0.383 . . . . 1.36 110.074 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.513 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.3 pt? -61.64 -16.87 52.43 Favored 'General case' 0 C--N 1.313 -0.986 0 O-C-N 124.238 0.961 . . . . 1.24 109.602 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -79.14 -41.25 28.96 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.061 -0.518 . . . . 0.82 110.152 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.87 -39.01 90.42 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.162 -1.051 . . . . 1.86 108.162 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 5' ' ' THR . 36.4 t -63.34 -47.16 93.28 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 112.512 -2.131 . . . . 1.31 109.411 178.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.433 ' HB1' ' HA ' ' A' ' 17' ' ' TYR . . . -64.16 -38.7 91.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.408 -0.814 . . . . 1.25 112.131 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -68.93 -45.28 71.22 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.304 -0.407 . . . . 2.41 110.835 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.402 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 40.5 t80 -72.54 -25.87 61.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.39 . . . . 2.57 111.694 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 9' ' ' VAL . . . -89.1 -16.74 30.77 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.218 -0.66 . . . . 1.32 109.218 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.52 41.16 66.72 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.565 -1.014 . . . . 0.72 110.565 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.1 m -131.16 -176.01 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 114.517 -0.841 . . . . 1.26 109.733 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -92.64 150.01 20.97 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 107.454 -1.313 . . . . 1.03 107.454 177.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.513 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.2 p90 -54.09 -39.46 66.38 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.772 -0.771 . . . . 2.26 110.611 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -54.71 -40.28 69.03 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.313 -0.403 . . . . 2.69 110.902 175.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.551 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 92.4 m -62.3 -41.34 98.44 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 116.149 -0.478 . . . . 1.18 109.824 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.6 ' O ' HG21 ' A' ' 24' ' ' VAL . 55.4 t -59.47 -52.73 57.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.27 -0.877 . . . . 1.28 110.307 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 11.8 m -61.06 -31.01 70.68 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.457 -0.338 . . . . 1.22 111.48 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.551 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 15.2 mtm180 -67.63 -30.51 70.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.988 -0.745 . . . . 3.12 108.988 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.631 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 66.7 t -81.51 -42.16 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 114.938 -1.028 . . . . 1.33 109.547 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.6 HG21 ' O ' ' A' ' 20' ' ' VAL . 21.4 t -61.55 -45.35 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.492 0.663 . . . . 1.37 109.933 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 21' ' ' SER . 2.1 m-80 -65.87 -33.08 75.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.131 -0.94 . . . . 1.24 110.922 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.631 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 6.4 mt-30 63.3 51.35 2.7 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.762 -0.654 . . . . 5.01 111.703 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.53 -160.69 0.73 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.253 0.549 . . . . 3.09 111.918 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.16 176.02 9.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.566 -0.743 . . . . 2.08 110.573 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.6 m170 65.51 31.51 10.09 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.733 0.778 . . . . 2.33 109.671 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 22' ' ' ARG . 76.4 t -137.83 124.88 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 114.883 -1.053 . . . . 1.54 109.21 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.4 p -85.47 146.43 26.95 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.459 -0.571 . . . . 1.42 109.459 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.34 -33.19 69.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.023 0.379 . . . . 1.68 112.023 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -57.66 -49.86 75.09 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.054 0.454 . . . . 3.58 111.458 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.437 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -69.55 -35.66 75.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.577 -0.283 . . . . 1.56 111.34 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.438 ' HG2' HG13 ' A' ' 23' ' ' VAL . 16.5 ttp180 -55.59 -46.54 77.25 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.222 0.453 . . . . 4.14 112.222 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 39.9 mt-10 -74.19 -28.43 61.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 113.094 0.776 . . . . 1.72 113.094 -177.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -79.59 -27.33 41.13 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.188 -0.605 . . . . 1.95 110.291 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 34' ' ' THR . 80.8 t -82.26 -39.85 16.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.571 0.701 . . . . 1.27 109.47 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.61 -29.25 70.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.374 -0.83 . . . . 1.7 109.244 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -69.8 -40.42 75.97 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.817 -1.083 . . . . 1.38 110.771 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.73 -36.78 85.39 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.539 -0.755 . . . . 1.24 111.411 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.424 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 24.3 mtt -64.43 -24.97 67.81 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.012 -0.54 . . . . 1.29 111.945 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.3 -34.74 28.51 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.712 0.767 . . . . 1.33 109.72 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 69.7 mm-40 -67.37 -56.47 9.56 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.091 -1.413 . . . . 1.55 112.838 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -85.8 -9.7 56.65 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.186 -1.37 . . . . 2.37 112.159 -177.37 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.4 m120 66.12 61.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 123.675 0.609 . . . . 2.34 109.756 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.543 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.1 t80 -78.89 124.44 28.24 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.955 -0.566 . . . . 2.17 111.902 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 mp -111.77 111.95 53.79 Favored Pre-proline 0 N--CA 1.45 -0.471 0 CA-C-N 115.664 -0.698 . . . . 1.99 109.423 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.05 125.07 14.54 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.93 2.42 . . . . 0.78 112.604 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -76.71 101.73 5.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.807 -0.633 . . . . 0.69 111.112 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -62.51 -22.58 66.39 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.355 -0.384 . . . . 4.93 112.018 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.451 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -80.27 -29.94 38.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.258 0.551 . . . . 0.7 109.777 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HB3' HD11 ' B' ' 56' ' ' LEU . . . -76.37 -40.46 50.98 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.095 -0.706 . . . . 1.2 109.095 177.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -61.35 -27.81 68.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.076 -0.965 . . . . 1.82 109.538 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -83.26 -30.7 27.43 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.473 -0.785 . . . . 3.08 110.235 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 tp -69.0 -43.69 74.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.063 -0.517 . . . . 1.24 110.199 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.67 -24.9 25.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.603 -0.726 . . . . 1.23 111.719 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 111.383 -0.687 . . . . 1.86 111.383 -179.73 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo . . . . . 0 CA--C 1.537 0.642 0 N-CA-C 111.032 -0.411 . . . . 2.12 111.032 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.591 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 55.2 t -71.24 158.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.51 -0.313 . . . . 1.33 110.909 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.561 ' N ' HG13 ' B' ' 4' ' ' VAL . 10.7 p -127.73 157.35 40.57 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.029 0.442 . . . . 1.29 110.159 -177.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.445 ' HG ' ' CG2' ' B' ' 20' ' ' VAL . 0.9 OUTLIER -55.04 -27.55 45.45 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 121.276 -0.89 . . . . 1.29 111.428 177.578 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -66.19 -35.76 81.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.702 -0.681 . . . . 2.01 110.021 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -69.51 -35.39 75.46 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.34 0.591 . . . . 1.45 109.8 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.482 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 43.7 t -68.17 -43.3 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.938 -1.028 . . . . 1.22 111.008 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.488 ' HB3' ' CG1' ' B' ' 20' ' ' VAL . . . -60.87 -52.02 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 1.12 110.766 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -59.12 -49.06 79.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.214 -0.903 . . . . 2.46 111.834 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -60.02 -51.06 71.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.717 0.636 . . . . 2.19 112.717 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.598 ' O ' ' HD3' ' B' ' 37' ' ' LYS . . . -68.01 -16.9 64.25 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 120.681 0.276 . . . . 1.26 111.031 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.14 46.26 8.35 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.942 -1.123 . . . . 1.09 112.44 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.403 HG12 HG21 ' B' ' 19' ' ' THR . 7.8 m -133.41 170.44 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 109.054 -0.721 . . . . 1.25 109.054 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 62.7 p -70.82 158.98 35.42 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.296 -1.002 . . . . 1.31 108.296 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -14.11 62.09 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.911 0.386 . . . . 2.42 111.503 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -85.71 -33.56 21.47 Favored 'General case' 0 CA--C 1.516 -0.347 0 O-C-N 121.155 -0.966 . . . . 1.44 108.571 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.403 HG21 HG12 ' B' ' 15' ' ' VAL . 53.0 m -56.15 -44.63 79.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.376 -1.284 . . . . 1.22 111.203 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' B' ' 10' ' ' ALA . 7.7 p -61.8 -46.82 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.16 0 C-N-CA 120.956 -0.298 . . . . 1.78 110.633 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 43.1 m -61.26 -47.07 87.73 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 108.444 -0.947 . . . . 1.13 108.444 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 22' ' ' ARG . 24.2 mtm-85 -50.96 -42.05 59.7 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.478 -1.237 . . . . 3.37 112.354 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 66.7 t -71.54 -36.19 59.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.283 0.564 . . . . 1.37 110.14 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.9 t -66.75 -30.35 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 CA-C-N 115.717 -0.674 . . . . 1.33 110.677 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -92.78 -1.46 56.78 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.418 -0.356 . . . . 1.3 110.947 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 55.39 42.77 29.76 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.292 0.567 . . . . 4.39 110.124 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.74 158.61 24.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.534 -0.757 . . . . 2.82 111.826 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -82.43 -17.51 45.11 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.388 0.613 . . . . 1.96 111.284 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -85.08 39.27 0.76 Allowed 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.552 -0.749 . . . . 1.64 109.767 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -135.56 130.05 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.287 0.565 . . . . 1.61 111.526 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.469 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 49.3 m -77.97 157.46 29.68 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.064 -0.971 . . . . 1.09 109.577 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.53 -54.56 42.48 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.107 0.48 . . . . 1.64 111.75 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -52.18 -55.49 20.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.449 -0.796 . . . . 3.67 110.524 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.469 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -53.4 -39.09 64.01 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.718 -0.674 . . . . 1.21 111.654 -179.486 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -68.31 -43.13 78.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.181 0.515 . . . . 4.13 111.074 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -71.04 -31.28 67.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.726 -0.67 . . . . 1.96 111.215 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.598 ' HD3' ' O ' ' B' ' 13' ' ' ALA . 16.2 ttmm -64.67 -48.49 74.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.532 0.682 . . . . 2.4 110.557 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.567 ' O ' ' HG3' ' B' ' 42' ' ' MET . 96.5 t -69.83 -35.42 64.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.29 -0.868 . . . . 1.22 111.615 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -70.72 -31.12 67.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.865 0.364 . . . . 1.68 110.352 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.97 -45.97 54.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.02 -0.536 . . . . 1.3 110.006 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.23 -27.38 34.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.23 -0.895 . . . . 1.29 110.976 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.567 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 51.0 mtt -64.44 -19.87 65.81 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.001 -0.545 . . . . 1.2 111.586 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.39 -53.38 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 1.34 110.408 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.28 -50.47 72.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.13 -0.941 . . . . 1.58 110.381 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.525 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -69.45 -22.99 63.61 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.939 -1.028 . . . . 1.76 112.212 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.53 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.9 OUTLIER 62.89 43.28 6.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.107 -1.442 . . . . 1.3 107.107 -175.222 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.591 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.2 t80 -54.55 122.04 9.7 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.678 -1.146 . . . . 2.36 110.675 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.53 HG12 ' O ' ' B' ' 46' ' ' ASN . 13.6 mm -133.58 97.01 16.22 Favored Pre-proline 0 N--CA 1.435 -1.212 0 N-CA-C 104.02 -2.585 . . . . 1.83 104.02 178.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.448 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 1.2 Cg_exo -30.52 129.55 0.06 OUTLIER 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 125.078 3.852 . . . . 0.79 115.789 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -67.68 86.38 0.21 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.452 -0.795 . . . . 0.85 111.206 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -24.93 0.86 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.814 1.042 . . . . 5.23 113.814 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.451 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.1 m -76.88 -57.49 3.82 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 121.761 -0.587 . . . . 0.75 111.348 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.19 -37.08 64.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.954 -0.566 . . . . 1.34 110.628 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.448 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 6.0 mt-30 -58.84 -39.43 81.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 1.04 112.054 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.6 -48.15 67.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.442 -1.318 . . . . 3.01 107.442 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 53' ' ' ALA . 1.1 tp -53.64 -42.02 67.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.141 -0.936 . . . . 1.26 111.121 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.75 -5.16 57.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.584 -0.28 . . . . 1.29 111.369 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.505 0 C-N-CA 120.227 -0.987 . . . . 1.6 113.739 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo . . . . . 0 N--CA 1.457 -0.635 0 CA-C-O 121.202 0.418 . . . . 2.2 111.308 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 45' ' ' LEU . 59.0 t -112.53 123.19 67.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 109.247 -0.649 . . . . 1.47 109.247 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.457 ' O ' HG22 ' A' ' 9' ' ' VAL . 3.7 p -91.34 166.7 12.77 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 113.433 0.901 . . . . 1.36 113.433 -177.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.8 -16.32 64.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.058 -1.428 . . . . 1.24 109.362 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -79.01 -38.76 35.84 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.386 -0.598 . . . . 0.82 109.386 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.7 -41.3 96.12 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 107.31 -1.367 . . . . 1.86 107.31 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 44.2 t -62.37 -46.09 97.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 112.549 -2.114 . . . . 1.31 109.634 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -62.98 -39.34 94.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.82 -0.627 . . . . 1.25 111.773 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -66.78 -49.09 67.02 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.635 -0.711 . . . . 2.41 110.394 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.418 ' HB3' HD11 ' A' ' 45' ' ' LEU . 39.1 t80 -68.67 -22.55 64.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 2.57 111.165 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 9' ' ' VAL . . . -91.78 -16.99 26.03 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.643 -0.503 . . . . 1.32 109.643 -178.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.18 41.49 46.79 Favored Glycine 0 CA--C 1.5 -0.904 0 N-CA-C 110.319 -1.113 . . . . 0.72 110.319 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.0 m -137.69 -174.58 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 CA-C-N 114.582 -0.809 . . . . 1.26 109.003 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.1 m -89.53 171.33 9.78 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.72 -0.845 . . . . 1.03 108.72 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.404 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 49.3 p90 -74.71 -36.04 62.71 Favored 'General case' 0 C--N 1.311 -1.09 0 C-N-CA 119.198 -1.001 . . . . 2.26 109.459 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -25.65 65.66 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.165 -0.925 . . . . 2.69 110.747 176.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -64.56 -46.25 83.59 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.624 -0.88 . . . . 1.18 108.624 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.731 ' O ' HG22 ' A' ' 24' ' ' VAL . 92.8 t -57.81 -50.83 76.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.041 -1.436 . . . . 1.28 110.997 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.3 t -63.59 -28.77 70.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.534 -0.757 . . . . 1.22 110.487 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -68.75 -31.84 71.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.726 -0.67 . . . . 3.12 109.285 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.6 t -82.72 -43.42 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.057 0.456 . . . . 1.33 110.536 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 20' ' ' VAL . 16.2 t -60.46 -50.07 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.563 -0.744 . . . . 1.37 111.403 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -76.91 -37.85 54.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.295 -0.866 . . . . 1.24 113.224 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.594 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 24.1 mt-30 -125.79 -104.77 0.34 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.921 -0.399 . . . . 5.01 109.921 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.594 ' HB1' ' O ' ' A' ' 26' ' ' GLN . . . 151.44 -35.37 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 124.978 1.424 . . . . 3.09 109.804 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.58 160.6 29.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.741 -1.118 . . . . 2.08 110.927 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 68.3 19.59 8.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.768 -0.651 . . . . 2.33 110.653 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 t -131.79 126.31 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 115.592 -0.731 . . . . 1.54 109.613 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.5 m -59.73 136.73 58.09 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.346 -0.843 . . . . 1.42 109.745 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -54.31 -37.32 64.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.068 -0.515 . . . . 1.68 110.575 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -56.43 -43.8 79.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.659 -0.701 . . . . 3.58 111.136 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -86.12 -40.26 15.87 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.005 -0.543 . . . . 1.56 111.834 -178.412 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 17.4 ttm180 -55.07 -53.62 53.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.004 -0.544 . . . . 4.14 112.215 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 21.3 mt-10 -70.49 -17.86 62.97 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.471 -0.786 . . . . 1.72 110.459 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -84.45 -30.02 25.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.36 -0.607 . . . . 1.95 109.36 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.544 HG11 HG23 ' A' ' 20' ' ' VAL . 54.1 t -76.16 -43.47 37.67 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 109.461 -0.57 . . . . 1.27 109.461 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 44.7 mt-10 -60.55 -31.9 70.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.971 -1.013 . . . . 1.7 109.212 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -70.7 -36.14 73.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.717 -1.129 . . . . 1.38 110.331 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.86 -34.7 79.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.874 -0.603 . . . . 1.24 110.462 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 40.3 mtt -61.79 -26.3 68.01 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.742 -0.663 . . . . 1.29 111.727 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.67 -34.96 21.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.27 0.557 . . . . 1.33 110.136 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 22.6 mm-40 -65.33 -58.6 5.5 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.784 -1.098 . . . . 1.55 111.86 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.575 ' O ' HG23 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -81.47 -10.63 59.45 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.495 -1.229 . . . . 2.37 112.032 -178.311 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.471 ' O ' HD13 ' A' ' 48' ' ' ILE . 22.8 m-80 67.76 64.93 0.38 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.515 0.674 . . . . 2.34 109.342 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 13.8 t80 -78.66 120.0 22.72 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.142 -0.936 . . . . 2.17 111.18 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.471 HD13 ' O ' ' A' ' 46' ' ' ASN . 2.5 mp -113.44 108.62 52.0 Favored Pre-proline 0 N--CA 1.44 -0.926 0 CA-C-N 115.227 -0.897 . . . . 1.99 108.675 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -55.9 116.29 3.06 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.553 2.168 . . . . 0.78 112.416 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -67.81 103.05 1.34 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 116.287 -0.415 . . . . 0.69 110.044 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 1.5 mpt_? -61.91 -31.08 71.35 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.237 -0.438 . . . . 4.93 111.558 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -35.46 71.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.635 -0.505 . . . . 0.7 109.635 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.19 -42.2 69.33 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.063 -0.717 . . . . 1.2 109.063 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -59.54 -39.56 84.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.404 -1.271 . . . . 1.82 109.248 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -69.48 -36.1 76.21 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.296 0.569 . . . . 3.08 109.812 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.485 HD22 HD22 ' B' ' 56' ' ' LEU . 7.1 tp -64.48 -47.2 79.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.434 -0.803 . . . . 1.24 110.534 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.42 -18.07 55.49 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.711 -0.677 . . . . 1.23 111.698 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.594 0 C-N-CA 120.828 -0.701 . . . . 1.86 111.691 179.263 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 N--CA 1.461 -0.397 0 N-CA-C 110.473 -0.626 . . . . 2.12 110.473 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.672 HG21 ' O ' ' B' ' 45' ' ' LEU . 65.0 t -79.27 154.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.912 -0.403 . . . . 1.33 109.912 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.457 ' N ' HG13 ' B' ' 4' ' ' VAL . 16.7 p -134.87 164.08 28.38 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.786 -0.643 . . . . 1.29 111.436 -177.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.466 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 1.3 tt -59.9 -22.78 62.82 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.2 0.524 . . . . 1.29 111.368 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -72.47 -40.73 66.75 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.243 -0.889 . . . . 2.01 110.466 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -66.41 -36.43 82.81 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.703 -0.68 . . . . 1.45 109.638 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.452 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 53.6 t -65.23 -40.77 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 114.658 -1.156 . . . . 1.22 109.609 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -53.4 58.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.546 -0.752 . . . . 1.12 110.889 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.72 -47.99 80.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.156 -0.929 . . . . 2.46 111.552 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -63.99 -49.76 71.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.09 -0.505 . . . . 2.19 111.851 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.78 -19.98 65.86 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.325 0.491 . . . . 1.26 112.325 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.72 50.44 5.62 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 110.668 -0.973 . . . . 1.09 110.668 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -145.26 168.95 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 N-CA-C 108.59 -0.893 . . . . 1.25 108.59 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.506 ' O ' ' HB ' ' B' ' 19' ' ' THR . 72.2 m -76.59 153.36 35.39 Favored 'General case' 0 N--CA 1.423 -1.79 0 N-CA-C 109.187 -0.672 . . . . 1.31 109.187 177.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -43.11 87.9 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 121.281 -0.168 . . . . 2.42 110.686 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -34.45 69.7 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.231 0.538 . . . . 1.44 111.162 177.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' B' ' 16' ' ' SER . 97.4 m -57.31 -40.94 78.91 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.749 0.785 . . . . 1.22 110.722 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.491 HG11 ' CG1' ' B' ' 38' ' ' VAL . 3.7 t -65.01 -46.29 91.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 114.208 -1.36 . . . . 1.78 110.72 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -58.0 -49.19 77.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.088 0.947 . . . . 1.13 108.459 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -57.02 -38.11 72.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.304 -1.316 . . . . 3.37 111.824 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.419 HG12 ' HG3' ' B' ' 35' ' ' ARG . 24.7 t -75.49 -40.17 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-O 120.777 0.322 . . . . 1.37 110.624 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.29 -36.28 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.037 -0.528 . . . . 1.33 110.56 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -86.09 -5.84 59.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.22 -0.445 . . . . 1.3 111.198 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 54.15 44.29 29.38 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.424 0.631 . . . . 4.39 109.934 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.88 179.62 6.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.31 -0.859 . . . . 2.82 110.952 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 0.8 OUTLIER -79.36 167.8 20.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.739 . . . . 1.96 110.834 178.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' B' ' 28' ' ' SER . 62.5 m170 67.95 33.72 4.52 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.658 0.742 . . . . 1.64 110.002 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.47 110.17 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.582 -0.735 . . . . 1.61 110.872 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.525 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 64.4 m -61.43 151.85 31.43 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.805 -0.634 . . . . 1.09 109.815 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.13 -51.34 58.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 111.918 0.34 . . . . 1.64 111.918 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.669 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 56.2 mtmt -53.4 -57.97 8.76 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 123.496 0.497 . . . . 3.67 111.115 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.597 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -52.97 -34.93 58.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.865 -0.607 . . . . 1.21 111.553 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.419 ' HG3' HG12 ' B' ' 23' ' ' VAL . 11.3 ttm180 -65.27 -42.95 92.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.219 0.533 . . . . 4.13 110.329 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.03 -41.56 86.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.887 -1.051 . . . . 1.96 111.247 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.669 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 25.3 mtpp -60.39 -39.45 87.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.677 -0.692 . . . . 2.4 111.044 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.597 HG21 ' O ' ' B' ' 34' ' ' THR . 94.4 t -69.46 -39.92 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 115.758 -0.656 . . . . 1.22 110.991 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -71.78 -32.26 67.47 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.289 0.566 . . . . 1.68 109.777 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.0 76.85 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.605 -0.725 . . . . 1.3 109.585 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.29 -28.86 60.12 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.585 -0.734 . . . . 1.29 112.024 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 42.4 mtt -63.66 -20.72 65.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.466 -0.788 . . . . 1.2 109.776 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.17 -49.43 7.75 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.817 -0.629 . . . . 1.34 110.656 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -59.63 -42.02 91.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.75 0.786 . . . . 1.58 111.066 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.672 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -78.19 -19.25 54.26 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.786 -1.097 . . . . 1.76 111.293 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.25 43.32 4.9 Favored 'General case' 0 C--N 1.34 0.183 0 N-CA-C 107.052 -1.462 . . . . 1.3 107.052 -175.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.576 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 t80 -56.94 123.38 14.93 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.759 -1.109 . . . . 2.36 111.632 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mt -135.55 98.98 11.95 Favored Pre-proline 0 N--CA 1.435 -1.193 0 N-CA-C 104.001 -2.592 . . . . 1.83 104.001 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.603 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.7 OUTLIER -30.0 128.86 0.06 OUTLIER 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 125.19 3.927 . . . . 0.79 115.409 -176.357 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -63.65 87.35 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.387 -1.279 . . . . 0.85 111.325 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.606 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -47.38 -29.23 2.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.905 0.882 . . . . 5.23 112.739 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 66.9 m -75.42 -60.78 2.15 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 120.418 -0.513 . . . . 0.75 112.1 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.19 -34.57 63.79 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.774 -0.648 . . . . 1.34 112.135 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.603 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 11.0 mt-30 -66.5 -30.79 71.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.426 -0.352 . . . . 1.04 110.536 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.606 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -82.29 -20.41 37.54 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.083 -0.71 . . . . 3.01 109.083 179.036 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.485 HD22 HD22 ' A' ' 56' ' ' LEU . 1.7 tp -81.97 -46.47 13.96 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.301 -0.863 . . . . 1.26 109.943 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.16 -0.06 8.88 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.903 0.881 . . . . 1.29 112.772 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.539 0 C-N-CA 120.376 -0.916 . . . . 1.6 112.499 -179.701 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 C--O 1.236 0.399 0 CA-C-O 121.04 0.35 . . . . 2.2 112.911 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.45 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 16.8 t -112.98 175.03 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 N-CA-C 107.728 -1.212 . . . . 1.47 107.728 178.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.4 p -131.98 159.15 39.57 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.753 -0.832 . . . . 1.36 108.753 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.35 -19.66 64.83 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 121.712 -0.617 . . . . 1.24 110.364 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -72.29 -42.41 65.54 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.925 -0.58 . . . . 0.82 109.451 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -57.84 -32.37 67.55 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 122.727 1.251 . . . . 1.86 108.564 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.642 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 42.1 t -75.63 -44.1 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 CA-C-N 113.272 -1.786 . . . . 1.31 109.336 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 17' ' ' TYR . . . -63.93 -45.41 89.34 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.572 -0.74 . . . . 1.25 111.946 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.17 -54.73 40.73 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.469 0.652 . . . . 2.41 110.815 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -62.13 -28.55 69.71 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.638 -0.71 . . . . 2.57 112.389 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 9' ' ' VAL . . . -83.13 -27.5 30.08 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 121.788 -0.57 . . . . 1.32 111.474 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.23 34.31 7.19 Favored Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 109.725 -1.35 . . . . 0.72 109.725 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.483 HG11 HG22 ' A' ' 34' ' ' THR . 18.2 m -137.97 -179.41 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-O 121.357 0.599 . . . . 1.26 111.221 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -90.24 147.6 23.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.268 -0.878 . . . . 1.03 108.963 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 34.2 p90 -49.96 -42.64 49.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.327 0.584 . . . . 2.26 111.023 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -29.49 68.99 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.267 0.556 . . . . 2.69 111.037 178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 m -66.03 -45.39 81.61 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.828 0.823 . . . . 1.18 109.669 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.504 ' HA ' HG12 ' A' ' 38' ' ' VAL . 89.0 t -57.24 -44.94 84.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 114.043 -1.435 . . . . 1.28 110.444 177.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.531 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 47.0 t -67.32 -27.67 67.35 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.781 -0.645 . . . . 1.22 110.919 -178.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -73.73 -28.51 61.74 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.31 -0.556 . . . . 3.12 110.097 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.3 t -83.37 -43.97 18.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 120.865 0.364 . . . . 1.33 110.078 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 20' ' ' VAL . 55.4 t -64.5 -48.26 85.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.335 0.588 . . . . 1.37 110.832 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' ' 21' ' ' SER . 35.8 m-20 -75.24 -38.94 60.34 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.024 0.75 . . . . 1.24 113.024 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.628 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -149.95 -109.88 0.07 Allowed 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.86 -0.525 . . . . 5.01 109.665 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 166.53 -21.85 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.4 0.619 . . . . 3.09 111.379 -178.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 0.4 OUTLIER -65.53 150.5 48.29 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.848 -0.615 . . . . 2.08 110.695 -178.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 28' ' ' SER . 4.1 m-70 70.0 23.18 5.5 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.707 0.765 . . . . 2.33 109.359 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 27' ' ' ALA . 48.5 t -141.22 132.85 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-N 114.681 -1.145 . . . . 1.54 108.103 178.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.65 155.32 40.69 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.014 -1.106 . . . . 1.42 108.014 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.8 -7.81 47.9 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 113.234 0.827 . . . . 1.68 113.234 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -84.95 -43.91 13.6 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.453 -0.943 . . . . 3.58 108.453 -175.843 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.563 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -70.53 -22.59 62.6 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.714 -1.13 . . . . 1.56 112.3 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -62.05 2.15 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.22 -0.3 . . . . 4.14 111.455 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.14 -26.72 64.98 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.018 0.748 . . . . 1.72 113.018 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.619 ' HD3' ' O ' ' A' ' 13' ' ' ALA . 8.4 ptpt -77.36 -26.92 52.41 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.103 -1.039 . . . . 1.95 109.538 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.563 HG21 ' O ' ' A' ' 34' ' ' THR . 55.0 t -79.07 -37.51 19.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 114.803 -1.089 . . . . 1.27 108.177 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -78.89 -2.3 39.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.251 -1.018 . . . . 1.7 108.251 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.64 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -91.31 -50.29 5.9 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 106.385 -1.709 . . . . 1.38 106.385 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.25 82.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 113.657 -1.61 . . . . 1.24 113.479 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.506 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 1.7 ptp -76.0 -19.8 58.38 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.14 -0.624 . . . . 1.29 110.272 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.3 -17.77 31.7 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.182 -0.917 . . . . 1.33 110.737 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.64 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 56.5 mm-40 -91.64 -55.64 3.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 123.526 1.632 . . . . 1.55 110.147 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.26 -1.3 40.18 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 111.74 -2.482 . . . . 2.37 112.437 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.541 ' O ' HD12 ' A' ' 48' ' ' ILE . 8.1 m120 56.85 59.44 3.5 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.6 0.714 . . . . 2.34 110.056 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.45 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.8 t80 -76.88 122.89 25.48 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.997 -1.001 . . . . 2.17 109.248 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 46' ' ' ASN . 3.9 mp -108.85 109.53 61.11 Favored Pre-proline 0 N--CA 1.444 -0.74 0 N-CA-C 108.592 -0.892 . . . . 1.99 108.592 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -46.95 123.27 7.15 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.044 2.496 . . . . 0.78 110.962 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.597 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 6.1 m-20 -74.23 113.9 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.506 0.669 . . . . 0.69 110.222 -178.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -79.14 -20.25 49.04 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.168 -0.924 . . . . 4.93 111.175 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.14 -56.18 4.68 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 110.4 -0.222 . . . . 0.7 110.4 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.51 ' HB1' HD21 ' B' ' 56' ' ' LEU . . . -58.81 -46.13 88.35 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.6 -0.519 . . . . 1.2 109.6 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.597 ' HB3' ' O ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -47.96 -39.36 19.14 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.753 -1.112 . . . . 1.82 111.049 177.035 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -82.32 -18.62 41.6 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.349 -0.387 . . . . 3.08 110.854 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 tp -76.17 -52.61 9.72 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 108.878 -0.786 . . . . 1.24 108.878 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.36 -56.04 24.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.842 -1.072 . . . . 1.23 111.203 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.586 0 C-N-CA 118.949 -1.596 . . . . 1.86 111.065 176.624 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 CA-C-O 120.755 0.231 . . . . 2.12 111.694 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.659 HG21 ' O ' ' B' ' 45' ' ' LEU . 74.1 t -67.24 137.26 25.12 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 121.597 0.713 . . . . 1.33 109.738 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' B' ' 50' ' ' ASN . 66.7 p -124.56 160.22 28.88 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.748 -0.66 . . . . 1.29 110.562 -177.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.61 -15.72 0.3 Allowed 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 113.626 0.973 . . . . 1.29 113.626 177.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -85.81 -20.36 29.3 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 120.497 -0.481 . . . . 2.01 109.797 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -39.9 15.47 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.529 -1.286 . . . . 1.45 107.529 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 8.6 t -61.62 -48.72 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.005 -0.998 . . . . 1.22 111.0 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.41 -64.35 0.89 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 122.059 0.933 . . . . 1.12 110.416 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -49.11 -34.08 13.24 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 113.432 -1.713 . . . . 2.46 112.906 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -78.09 -44.17 26.97 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 116.152 -0.476 . . . . 2.19 112.029 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.86 -22.17 37.11 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 112.648 0.61 . . . . 1.26 112.648 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.59 23.36 31.23 Favored Glycine 0 C--N 1.32 -0.312 0 C-N-CA 119.488 -1.339 . . . . 1.09 112.493 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 m -110.54 158.63 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 N-CA-C 109.015 -0.735 . . . . 1.25 109.015 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.451 ' HB2' ' OG1' ' B' ' 19' ' ' THR . 5.4 m -70.1 168.02 16.47 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 119.809 -0.756 . . . . 1.31 112.067 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -63.55 -45.18 91.68 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.081 -1.418 . . . . 2.42 110.249 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -69.4 -34.12 74.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.277 -0.268 . . . . 1.44 110.277 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.451 ' OG1' ' HB2' ' B' ' 16' ' ' SER . 6.3 m -57.01 -28.18 62.25 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.696 0.623 . . . . 1.22 111.996 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 t -82.57 -40.13 16.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.832 -0.622 . . . . 1.78 109.495 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 17.9 m -66.86 -31.73 72.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.682 -0.69 . . . . 1.13 111.29 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -78.6 -18.63 54.27 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.394 -0.816 . . . . 3.37 111.438 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 t -75.09 -37.58 40.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.274 -1.01 . . . . 1.37 108.274 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.8 -39.27 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 114.411 -1.268 . . . . 1.33 110.107 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -73.02 -9.33 58.61 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.998 -0.546 . . . . 1.3 112.081 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 60.07 31.35 20.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 123.462 0.705 . . . . 4.39 111.311 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.47 175.55 10.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.229 1.014 . . . . 2.82 111.796 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.624 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 53.8 m -100.7 178.92 4.57 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 113.436 -1.711 . . . . 1.96 107.925 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . 0.624 ' HB2' ' O ' ' B' ' 28' ' ' SER . 23.9 m170 89.37 -1.97 0.36 Allowed 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 123.332 0.653 . . . . 1.64 110.164 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.79 103.35 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 N-CA-C 108.161 -1.051 . . . . 1.61 108.161 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.19 166.03 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 115.254 1.576 . . . . 1.09 115.254 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -67.22 -37.43 83.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.324 -1.307 . . . . 1.64 111.461 -177.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 28.4 ttpt -55.09 -60.45 3.36 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.532 0.682 . . . . 3.67 110.304 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.45 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.1 OUTLIER -56.91 -23.25 43.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.138 -0.937 . . . . 1.21 112.089 178.837 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.09 -40.31 53.34 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.522 0.677 . . . . 4.13 109.529 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 20.7 mt-10 -69.13 -32.3 71.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.752 -1.113 . . . . 1.96 109.775 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' B' ' 33' ' ' LYS . 11.3 mmpt? -62.92 -37.53 87.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.598 -1.183 . . . . 2.4 109.572 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.462 ' O ' ' HG3' ' B' ' 42' ' ' MET . 93.7 t -75.36 -39.16 41.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.948 -0.569 . . . . 1.22 110.309 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' B' ' 42' ' ' MET . 41.6 mt-10 -62.83 -34.59 77.64 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.63 0.729 . . . . 1.68 110.037 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.6 81.18 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.872 -1.058 . . . . 1.3 109.698 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.83 -32.26 70.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.819 -1.082 . . . . 1.29 109.983 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 48.0 mtt -62.59 -21.94 66.0 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.09 -0.959 . . . . 1.2 108.991 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.31 -47.45 8.03 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.106 -0.497 . . . . 1.34 110.357 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -54.84 -55.03 34.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.259 1.028 . . . . 1.58 110.054 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.659 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.3 OUTLIER -76.26 -18.29 59.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.501 -1.227 . . . . 1.76 110.43 178.77 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 53.81 71.04 0.54 Allowed 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 106.253 -1.758 . . . . 1.3 106.253 -176.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.448 ' HD1' ' H ' ' B' ' 48' ' ' ILE . 0.1 OUTLIER -35.98 128.72 0.68 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 112.834 -1.984 . . . . 2.36 115.192 -176.06 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.581 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 mm -131.54 74.86 77.73 Favored Pre-proline 0 C--N 1.307 -1.25 0 CA-C-N 110.865 -2.879 . . . . 1.83 109.444 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' B' ' 51' ' ' ARG . 72.4 Cg_exo -37.54 125.15 0.6 Allowed 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 123.913 3.076 . . . . 0.79 111.995 -177.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.458 ' HB2' ' CG2' ' B' ' 5' ' ' THR . 34.8 t-20 -66.8 76.49 0.12 Allowed 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.404 -0.591 . . . . 0.85 109.404 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' B' ' 51' ' ' ARG . 13.4 mtt85 -43.7 -28.07 0.38 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.915 1.45 . . . . 5.23 114.915 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' B' ' 56' ' ' LEU . 71.1 m -71.26 -56.39 6.14 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.909 -0.404 . . . . 0.75 109.909 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.96 -34.44 59.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.24 0.543 . . . . 1.34 111.258 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -60.32 -35.6 75.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.036 -0.984 . . . . 1.04 112.276 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -92.49 -21.81 19.94 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.474 -0.935 . . . . 3.01 108.474 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.51 HD21 ' HB1' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -70.34 -43.58 69.95 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.436 -0.802 . . . . 1.26 110.479 178.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.67 -68.93 0.34 Allowed 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 106.847 -1.538 . . . . 1.29 106.847 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.406 0 C-N-CA 118.824 -1.655 . . . . 1.6 111.48 173.581 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 N--CA 1.457 -0.624 0 CA-C-O 121.106 0.377 . . . . 2.2 112.314 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 45' ' ' LEU . 83.7 t -125.94 129.62 72.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.008 -1.108 . . . . 1.47 108.008 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.596 ' O ' HG21 ' A' ' 9' ' ' VAL . 3.1 p -91.21 169.95 10.41 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 113.316 0.858 . . . . 1.36 113.316 -178.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' CD1' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -65.1 -18.38 65.25 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.041 -1.436 . . . . 1.24 109.363 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -78.24 -40.62 36.73 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.677 -0.692 . . . . 0.82 110.859 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.7 -41.2 97.28 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.699 1.238 . . . . 1.86 107.88 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.596 HG21 ' O ' ' A' ' 5' ' ' THR . 23.1 t -62.49 -44.26 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 112.649 -2.069 . . . . 1.31 110.799 178.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -34.04 76.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.185 -0.916 . . . . 1.25 111.223 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -70.08 -49.65 48.91 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.284 -0.416 . . . . 2.41 110.646 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -67.79 -25.23 65.49 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.253 0.549 . . . . 2.57 111.803 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.4 -17.78 26.63 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.668 -0.696 . . . . 1.32 109.974 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.65 44.31 40.18 Favored Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 110.519 -1.033 . . . . 0.72 110.519 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.76 -166.87 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.804 -0.698 . . . . 1.26 110.268 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.6 p -99.71 170.78 8.33 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.623 -1.251 . . . . 1.03 107.623 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.409 ' HB2' ' CD1' ' A' ' 6' ' ' LEU . 35.5 p90 -73.42 -32.68 64.55 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 118.211 -1.396 . . . . 2.26 108.615 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -62.4 -33.36 74.61 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.667 -0.697 . . . . 2.69 110.189 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -62.47 -46.01 90.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.644 -0.873 . . . . 1.18 108.644 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 24' ' ' VAL . 55.9 t -59.55 -52.71 57.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.705 -1.134 . . . . 1.28 110.028 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.7 t -62.33 -25.68 68.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 1.22 111.635 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -73.05 -30.33 63.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.626 -0.509 . . . . 3.12 109.626 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.6 t -84.06 -44.26 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-O 121.465 0.65 . . . . 1.33 111.284 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 20' ' ' VAL . 24.9 t -62.67 -49.41 83.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.241 -0.89 . . . . 1.37 112.535 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -87.41 -18.5 29.83 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 113.46 0.911 . . . . 1.24 113.46 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.491 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 20.3 mt-30 -135.85 -106.36 0.21 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 119.158 -0.449 . . . . 5.01 110.855 -178.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 26' ' ' GLN . . . 151.83 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.691 1.197 . . . . 3.09 109.842 -178.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 46.6 t -77.91 160.91 27.95 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.452 -0.794 . . . . 2.08 110.599 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 28' ' ' SER . 56.7 m170 72.21 21.9 3.75 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 123.895 0.747 . . . . 2.33 111.372 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.26 137.14 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 109.053 -0.721 . . . . 1.54 109.053 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.603 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 63.8 m -64.13 132.88 51.76 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.995 -1.002 . . . . 1.42 109.742 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.94 -34.79 65.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.477 0.656 . . . . 1.68 109.979 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -59.38 -40.76 87.57 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.092 -0.958 . . . . 3.58 110.685 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.603 ' OG1' ' HB2' ' A' ' 31' ' ' SER . 0.0 OUTLIER -88.8 -41.54 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.583 0.586 . . . . 1.56 112.583 -179.41 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.532 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 45.7 ttp180 -50.11 -49.99 49.93 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.128 0.489 . . . . 4.14 111.58 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 39.0 mt-10 -71.51 -16.99 62.36 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.135 -0.939 . . . . 1.72 111.349 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -89.51 -28.75 19.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 1.95 110.279 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.439 HG12 ' HE3' ' A' ' 42' ' ' MET . 89.7 t -78.42 -44.54 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 108.746 -0.835 . . . . 1.27 108.746 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 38.3 mt-10 -59.27 -29.9 67.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.867 -1.06 . . . . 1.7 108.498 178.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.532 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -73.14 -33.14 65.33 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.689 -1.141 . . . . 1.38 110.46 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.46 96.14 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.544 0.688 . . . . 1.24 109.504 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.439 ' HE3' HG12 ' A' ' 38' ' ' VAL . 44.7 mtt -58.03 -27.92 64.0 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 114.962 -1.017 . . . . 1.29 112.248 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.4 -26.4 26.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.296 0.569 . . . . 1.33 110.79 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 21.4 mm-40 -72.75 -56.71 4.86 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.086 -0.961 . . . . 1.55 110.801 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.55 ' O ' HG22 ' A' ' 4' ' ' VAL . 1.3 mt -80.8 -18.69 46.73 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 113.48 -1.691 . . . . 2.37 111.447 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.72 66.41 0.15 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.58 0.705 . . . . 2.34 110.132 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.529 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.1 t80 -81.04 118.4 22.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.254 -0.884 . . . . 2.17 111.19 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.7 110.36 64.11 Favored Pre-proline 0 N--CA 1.438 -1.075 0 N-CA-C 108.831 -0.803 . . . . 1.99 108.831 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -55.26 107.16 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.71 2.274 . . . . 0.78 110.663 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -67.71 100.4 0.91 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.373 0.606 . . . . 0.69 111.534 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -69.27 -19.64 63.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.435 -0.802 . . . . 4.93 110.818 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 1.3 m -74.09 -35.96 64.23 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.418 -0.956 . . . . 0.7 108.418 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.438 ' HB1' HD11 ' B' ' 56' ' ' LEU . . . -72.45 -39.27 67.91 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.119 -0.946 . . . . 1.2 110.095 178.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.62 -42.25 95.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.782 -0.644 . . . . 1.82 110.057 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 52' ' ' CYS . 2.9 pt20 -62.56 -30.13 71.09 Favored 'General case' 0 CA--C 1.522 -0.134 0 N-CA-C 108.971 -0.751 . . . . 3.08 108.971 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.25 -46.74 60.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.207 -0.906 . . . . 1.24 110.83 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.32 -13.71 60.13 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.016 -0.538 . . . . 1.23 112.307 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.978 0 N-CA-C 110.75 -0.94 . . . . 1.86 110.75 -179.112 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo . . . . . 0 N--CA 1.463 -0.314 0 CA-C-O 120.827 0.261 . . . . 2.12 111.801 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.647 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 90.4 t -119.94 139.53 46.95 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.912 0 CA-C-N 116.136 -0.484 . . . . 1.33 109.939 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 17.7 p -93.4 165.26 12.86 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 113.083 0.772 . . . . 1.29 113.083 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.407 ' HG ' HG13 ' B' ' 20' ' ' VAL . 2.4 tt -61.83 -22.03 65.14 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.153 -0.931 . . . . 1.29 109.971 176.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.464 ' CE1' ' CE1' ' B' ' 17' ' ' TYR . 37.5 m-85 -66.89 -41.18 87.61 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 115.841 -0.618 . . . . 2.01 110.214 178.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.404 ' HB2' ' CG1' ' B' ' 4' ' ' VAL . 20.2 m-20 -70.07 -31.24 68.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.237 -0.892 . . . . 1.45 110.103 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.436 ' HA ' HD23 ' B' ' 45' ' ' LEU . 51.5 t -67.1 -45.85 85.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.844 -0.616 . . . . 1.22 110.558 178.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.27 -54.7 44.01 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.062 -0.517 . . . . 1.12 111.817 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -61.84 -39.95 93.63 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.344 -0.844 . . . . 2.46 112.448 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.456 ' CB ' HD22 ' B' ' 45' ' ' LEU . 63.2 t80 -62.7 -38.48 90.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.481 0.658 . . . . 2.19 110.108 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.539 ' O ' ' HD3' ' B' ' 37' ' ' LYS . . . -84.29 -21.59 30.99 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.326 -0.852 . . . . 1.26 111.126 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.74 -47.75 1.02 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.754 -0.938 . . . . 1.09 110.754 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -45.52 160.92 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 115.546 1.684 . . . . 1.25 115.546 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -78.09 167.81 20.85 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 113.718 -1.583 . . . . 1.31 110.243 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.464 ' CE1' ' CE1' ' B' ' 7' ' ' TYR . 26.3 t80 -57.61 -56.55 20.43 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.093 -0.958 . . . . 2.42 111.422 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -58.19 -25.22 61.32 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 112.861 0.689 . . . . 1.44 112.861 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -66.13 -39.33 89.8 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.892 0.853 . . . . 1.22 109.613 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.459 HG11 ' CG1' ' B' ' 38' ' ' VAL . 10.9 t -67.47 -51.49 51.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.64 -1.164 . . . . 1.78 109.81 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -53.59 -49.77 67.05 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.418 -0.956 . . . . 1.13 108.418 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -48.81 -39.88 27.07 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 114.107 -1.406 . . . . 3.37 112.572 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 25.5 t -72.19 -41.15 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.21 0.529 . . . . 1.37 110.895 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.14 -39.87 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 CA-C-N 115.423 -0.808 . . . . 1.33 111.557 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -81.26 -9.58 59.74 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.212 -0.449 . . . . 1.3 111.006 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 59.33 41.42 19.79 Favored 'General case' 0 N--CA 1.462 0.172 0 O-C-N 123.944 0.777 . . . . 4.39 109.893 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.18 171.63 13.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.031 -0.986 . . . . 2.82 111.355 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 9.3 p -84.86 170.93 12.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.973 -0.558 . . . . 1.96 110.438 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' B' ' 28' ' ' SER . 53.2 m170 72.0 40.43 0.73 Allowed 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.416 0.448 . . . . 1.64 111.951 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 13.5 t -132.4 124.54 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 N-CA-C 110.007 -0.368 . . . . 1.61 110.007 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.713 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 14.7 m -68.08 146.71 53.23 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 109.987 -0.375 . . . . 1.09 109.987 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.06 -51.86 65.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.417 0.525 . . . . 1.64 112.417 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -58.58 -48.31 81.37 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.065 0.394 . . . . 3.67 112.065 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.713 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -57.34 -36.47 71.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.053 -0.521 . . . . 1.21 111.19 179.632 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -68.8 -49.03 61.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.999 -0.546 . . . . 4.13 110.05 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.1 -36.02 74.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.081 -0.963 . . . . 1.96 111.159 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' B' ' 13' ' ' ALA . 19.6 ttmm -63.66 -38.45 91.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 2.4 111.268 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.603 ' O ' ' HG3' ' B' ' 42' ' ' MET . 96.2 t -73.42 -41.22 56.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.02 -0.536 . . . . 1.22 111.179 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -68.77 -28.25 66.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.847 0.356 . . . . 1.68 110.321 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.66 -44.69 23.18 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.248 -0.433 . . . . 1.3 110.42 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.9 -27.88 33.18 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.71 -0.677 . . . . 1.29 110.785 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 49.7 mtt -61.45 -21.88 64.55 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.212 -0.904 . . . . 1.2 110.9 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.18 -48.09 7.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.374 . . . . 1.34 111.702 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.59 -46.22 84.29 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 121.697 0.76 . . . . 1.58 110.729 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.5 ' HB3' HG13 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -75.4 -17.2 60.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.857 -1.065 . . . . 1.76 111.579 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 63.08 43.34 6.58 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.014 -1.476 . . . . 1.3 107.014 -175.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.647 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.6 t80 -56.27 122.09 11.0 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 114.185 -1.37 . . . . 2.36 111.209 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -133.86 101.92 12.57 Favored Pre-proline 0 N--CA 1.431 -1.401 0 N-CA-C 103.893 -2.632 . . . . 1.83 103.893 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.562 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 4.8 Cg_exo -34.48 126.6 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 124.706 3.604 . . . . 0.79 115.355 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.56 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 2.0 m-20 -65.89 80.75 0.07 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.443 -0.799 . . . . 0.85 110.254 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 tpp85 -49.69 -30.3 8.97 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.017 1.118 . . . . 5.23 114.017 -177.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 85.4 m -68.22 -60.31 2.56 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.571 -0.452 . . . . 0.75 110.448 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.64 -36.28 75.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.959 0.409 . . . . 1.34 111.768 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.562 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 43.8 mt-30 -63.9 -32.92 74.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.182 -0.463 . . . . 1.04 111.488 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.12 -50.04 57.31 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.232 -1.025 . . . . 3.01 108.232 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.438 HD11 ' HB1' ' A' ' 53' ' ' ALA . 1.1 mp -52.55 -42.8 64.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.152 -0.931 . . . . 1.26 110.729 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.38 -7.99 58.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.972 -0.558 . . . . 1.29 111.991 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.483 0 C-N-CA 121.072 -0.585 . . . . 1.6 113.522 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 N--CA 1.455 -0.774 0 N-CA-C 109.731 -0.911 . . . . 2.2 109.731 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.561 ' O ' ' HD1' ' A' ' 47' ' ' TYR . 55.6 t -52.88 137.08 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.931 0 CA-C-N 114.685 -1.143 . . . . 1.47 110.519 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.533 ' O ' HG21 ' A' ' 9' ' ' VAL . 2.8 p -98.63 170.51 8.75 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.782 -1.099 . . . . 1.36 113.282 -178.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.413 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.1 pt? -65.65 -16.93 64.21 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.971 -1.013 . . . . 1.24 110.193 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.456 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 72.7 m-85 -78.93 -38.87 36.18 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 109.799 -0.445 . . . . 0.82 109.799 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.456 ' HB2' HG13 ' A' ' 4' ' ' VAL . 73.5 m-20 -60.78 -41.67 96.01 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 122.528 1.156 . . . . 1.86 107.947 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 5' ' ' THR . 21.4 t -63.02 -47.8 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 CA-C-N 112.304 -2.226 . . . . 1.31 110.085 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.13 89.96 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.34 -0.845 . . . . 1.25 111.621 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 45.9 mt-10 -68.17 -43.9 77.16 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.996 -0.547 . . . . 2.41 111.231 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -75.71 -25.86 57.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.847 0.356 . . . . 2.57 111.303 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.27 -17.6 39.18 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 108.719 -0.845 . . . . 1.32 108.719 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.46 37.14 58.7 Favored Glycine 0 C--N 1.339 0.741 0 C-N-CA 120.401 -0.904 . . . . 0.72 111.191 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.07 -169.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.258 -0.971 . . . . 1.26 111.002 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 m -97.95 164.23 12.45 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 107.305 -1.368 . . . . 1.03 107.305 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.413 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 53.5 p90 -68.89 -28.92 67.12 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.84 -1.17 . . . . 2.26 107.84 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.88 -37.53 82.48 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.351 -1.295 . . . . 2.69 110.216 175.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.532 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 85.8 m -65.66 -46.14 80.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.172 0.51 . . . . 1.18 109.787 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.712 ' O ' HG21 ' A' ' 24' ' ' VAL . 76.5 t -56.1 -50.7 68.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 114.717 -1.129 . . . . 1.28 111.055 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.0 t -66.93 -30.11 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.095 -0.335 . . . . 1.22 110.095 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.532 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 6.2 mtm180 -64.44 -34.65 78.68 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.309 -0.405 . . . . 3.12 110.016 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.4 t -79.45 -47.02 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 1.33 111.254 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.712 HG21 ' O ' ' A' ' 20' ' ' VAL . 18.1 t -60.87 -47.67 92.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 112.993 0.738 . . . . 1.37 112.993 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -88.47 -25.68 22.48 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 114.139 1.163 . . . . 1.24 114.139 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.754 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 14.0 mm-40 -129.12 -101.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 118.497 0.589 . . . . 5.01 111.322 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 26' ' ' GLN . . . 145.04 -46.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 125.196 1.56 . . . . 3.09 110.713 -177.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 2.0 m -62.9 150.71 41.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.273 -0.876 . . . . 2.08 111.27 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.45 ' HB2' ' O ' ' A' ' 28' ' ' SER . 54.1 m170 75.56 16.08 2.61 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.885 0.85 . . . . 2.33 109.995 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.0 t -133.18 122.89 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 114.62 -1.173 . . . . 1.54 107.892 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.6 p -67.56 146.8 53.54 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.516 -0.765 . . . . 1.42 109.215 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.557 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.78 -37.26 68.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.107 -0.497 . . . . 1.68 110.211 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -54.55 -43.02 71.64 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.172 -0.467 . . . . 3.58 111.643 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -84.28 -43.2 15.07 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.628 0.233 . . . . 1.56 111.628 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 35' ' ' ARG . 16.1 ttp180 -53.55 -49.88 66.72 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.253 0.549 . . . . 4.14 112.439 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 29.9 mt-10 -71.27 -23.05 61.9 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.973 -1.012 . . . . 1.72 110.702 -177.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -81.21 -30.97 34.12 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.693 -0.685 . . . . 1.95 110.21 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 34' ' ' THR . 96.8 t -78.26 -43.0 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 109.457 -0.572 . . . . 1.27 109.457 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.83 -30.11 67.42 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 122.266 1.031 . . . . 1.7 108.79 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -75.7 -37.91 59.07 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.501 -1.227 . . . . 1.38 111.23 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB1' HG12 ' A' ' 9' ' ' VAL . . . -63.03 -37.18 86.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.502 0.668 . . . . 1.24 110.098 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 mtt -64.63 -24.32 67.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.158 -0.928 . . . . 1.29 111.128 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.47 -34.74 18.58 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.646 0.736 . . . . 1.33 110.298 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 78.8 mm-40 -62.45 -57.76 10.06 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 122.752 1.263 . . . . 1.55 111.309 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.494 ' O ' HG22 ' A' ' 4' ' ' VAL . 0.6 OUTLIER -83.04 -15.0 52.77 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 112.96 -1.927 . . . . 2.37 112.304 -177.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 28.7 m-80 67.67 70.89 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.573 0.701 . . . . 2.34 109.796 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.561 ' HD1' ' O ' ' A' ' 4' ' ' VAL . 7.1 t80 -83.16 124.29 30.37 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.159 -0.928 . . . . 2.17 110.805 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.77 103.85 55.24 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.652 -0.499 . . . . 1.99 109.652 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.46 112.75 0.96 Allowed 'Trans proline' 0 N--CA 1.486 1.054 0 C-N-CA 123.383 2.722 . . . . 0.78 113.685 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -69.1 108.56 3.63 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.406 0.622 . . . . 0.69 111.122 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.522 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 2.1 mpt_? -70.69 -28.68 64.94 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.451 -0.795 . . . . 4.93 111.203 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.55 -25.51 60.43 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.678 -0.692 . . . . 0.7 110.222 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.77 -38.61 28.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.079 -0.964 . . . . 1.2 109.338 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -66.04 -31.19 71.94 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 114.945 -1.025 . . . . 1.82 108.7 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -73.57 -27.6 61.4 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.026 0.441 . . . . 3.08 109.921 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.43 -42.12 45.14 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.285 -0.416 . . . . 1.24 111.533 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.41 -9.1 58.67 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.085 0.402 . . . . 1.23 112.085 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.312 0 C-N-CA 120.715 -0.755 . . . . 1.86 111.594 179.685 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo . . . . . 0 N--CA 1.465 -0.169 0 N-CA-C 111.17 -0.358 . . . . 2.12 111.17 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.61 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 9.8 t -74.93 175.49 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.531 -0.759 . . . . 1.33 110.366 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.43 ' H ' ' CG1' ' B' ' 4' ' ' VAL . 27.1 p -131.37 152.18 50.85 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 109.704 -0.48 . . . . 1.29 109.704 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.579 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 0.7 OUTLIER -50.6 -29.51 11.06 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.035 0.921 . . . . 1.29 112.218 177.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -70.48 -41.02 73.26 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.294 -1.321 . . . . 2.01 111.777 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -64.28 -32.94 74.73 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 108.95 -0.759 . . . . 1.45 108.95 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.54 -44.11 90.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 115.654 -0.703 . . . . 1.22 110.098 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.34 -60.51 3.66 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 124.017 0.823 . . . . 1.12 111.269 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.38 -38.89 69.44 Favored 'General case' 0 N--CA 1.445 -0.707 0 O-C-N 123.414 0.446 . . . . 2.46 112.023 -178.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -62.1 -47.1 86.12 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.915 -0.402 . . . . 2.19 109.915 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.472 ' HB3' ' HG2' ' B' ' 37' ' ' LYS . . . -78.85 -18.19 54.39 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 112.767 0.654 . . . . 1.26 112.767 -177.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.76 -48.33 0.95 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.5 -1.04 . . . . 1.09 110.5 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.9 m -48.66 159.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 116.638 2.088 . . . . 1.25 116.638 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -71.35 165.24 24.15 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 114.023 -1.444 . . . . 1.31 108.525 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.431 ' HD1' ' CD2' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -68.72 -48.22 64.38 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 110.518 -0.179 . . . . 2.42 110.518 -178.101 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' B' ' 22' ' ' ARG . 24.3 tp60 -55.33 -14.76 2.0 Allowed 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.051 0.929 . . . . 1.44 110.852 176.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.409 ' H ' ' C ' ' B' ' 17' ' ' TYR . 4.2 m -80.09 -34.9 37.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.177 -0.92 . . . . 1.22 109.806 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.579 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 14.2 t -70.59 -46.36 70.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.714 -1.13 . . . . 1.78 109.514 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 27.5 m -53.62 -51.41 63.18 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.718 -1.216 . . . . 1.13 107.718 175.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 4.0 ttp180 -50.15 -39.29 42.96 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 112.771 -2.013 . . . . 3.37 112.959 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.415 HG12 ' HB ' ' B' ' 38' ' ' VAL . 47.2 t -81.21 -45.45 20.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 O-C-N 122.209 -0.307 . . . . 1.37 110.862 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.5 -46.88 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 122.696 0.398 . . . . 1.33 111.542 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.69 -3.48 57.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 1.3 111.426 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.524 ' OE1' ' HD3' ' B' ' 35' ' ' ARG . 77.5 mm-40 58.06 39.08 26.6 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.117 -0.492 . . . . 4.39 109.919 -178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.17 166.99 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.397 -0.82 . . . . 2.82 111.112 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -80.32 179.92 7.44 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 116.209 -0.45 . . . . 1.96 110.446 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 23.6 m170 64.68 39.64 6.3 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.15 0.5 . . . . 1.64 109.947 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.711 ' HB ' ' NH2' ' B' ' 35' ' ' ARG . 37.1 t -138.27 130.43 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 CA-C-N 116.158 -0.474 . . . . 1.61 110.975 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.544 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 64.5 m -70.54 147.32 49.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.752 -0.658 . . . . 1.09 109.601 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' B' ' 36' ' ' GLU . . . -70.83 -9.07 56.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.37 0.878 . . . . 1.64 113.37 -177.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -91.45 -53.89 4.14 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 107.186 -1.413 . . . . 3.67 107.186 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.544 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -55.49 -27.99 51.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 112.918 -1.946 . . . . 1.21 110.999 177.652 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.711 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 33.1 ttm-85 -71.58 -47.86 52.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.449 0.642 . . . . 4.13 110.457 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' B' ' 32' ' ' ALA . 16.6 mm-40 -68.45 -27.67 66.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.375 -0.829 . . . . 1.96 111.101 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.472 ' HG2' ' HB3' ' B' ' 13' ' ' ALA . 1.3 tppt? -67.35 -48.42 67.54 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.56 -0.745 . . . . 2.4 109.878 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.497 HG22 ' O ' ' B' ' 34' ' ' THR . 70.5 t -65.88 -37.92 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 115.505 -0.77 . . . . 1.22 112.116 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.7 -31.27 69.2 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.617 -0.433 . . . . 1.68 109.916 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.47 -45.24 69.48 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.075 -0.713 . . . . 1.3 109.075 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.01 62.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.311 -0.859 . . . . 1.29 112.118 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 52.4 mtt -70.24 -26.23 63.75 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.164 -1.05 . . . . 1.2 108.164 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.26 -12.67 40.03 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.467 -1.242 . . . . 1.34 110.173 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -92.38 -52.68 4.55 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.282 -1.377 . . . . 1.58 107.282 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.515 ' HB3' HG11 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -72.53 -10.61 60.0 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 114.006 -1.452 . . . . 1.76 112.566 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t30 60.9 46.14 8.9 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.293 -1.002 . . . . 1.3 108.293 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.61 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.6 t80 -60.97 124.44 20.5 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 113.998 -1.455 . . . . 2.36 111.537 -177.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 10.2 mm -138.32 99.0 8.96 Favored Pre-proline 0 N--CA 1.427 -1.603 0 N-CA-C 103.044 -2.947 . . . . 1.83 103.044 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.427 ' HB2' ' NH1' ' B' ' 51' ' ' ARG . 0.5 OUTLIER -29.78 125.56 0.06 OUTLIER 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.915 3.743 . . . . 0.79 116.825 -175.646 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -52.23 94.81 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.397 -1.274 . . . . 0.85 110.246 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' B' ' 49' ' ' PRO . 27.5 mmt180 -57.93 -31.36 66.74 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.033 0.753 . . . . 5.23 113.033 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 78.1 m -73.38 -59.65 2.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 120.792 -0.363 . . . . 0.75 110.923 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.36 86.01 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.688 0.625 . . . . 1.34 112.688 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.422 ' CD ' ' HB3' ' B' ' 49' ' ' PRO . 10.8 mt-30 -63.97 -43.49 95.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.98 0.419 . . . . 1.04 111.129 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -60.87 -36.73 79.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.793 0.806 . . . . 3.01 108.877 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tp -69.7 -47.52 62.91 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.5 -1.227 . . . . 1.26 110.803 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.61 -63.14 1.25 Allowed 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.687 -0.405 . . . . 1.29 110.332 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.59 0 C-N-CA 118.742 -1.694 . . . . 1.6 110.938 175.322 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo . . . . . 0 N--CA 1.455 -0.767 0 CA-C-O 121.274 0.448 . . . . 2.2 111.38 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.536 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 89.8 t -105.61 171.3 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 106.948 -1.501 . . . . 1.47 106.948 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.46 ' O ' HG21 ' A' ' 9' ' ' VAL . 6.8 p -135.63 163.07 30.97 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 118.16 0.436 . . . . 1.36 110.15 -176.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.622 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -63.62 -16.7 61.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.536 0.684 . . . . 1.24 109.212 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.536 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 47.1 m-85 -77.21 -40.42 45.12 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.275 -0.875 . . . . 0.82 110.184 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.56 -38.48 91.27 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.192 -1.04 . . . . 1.86 108.192 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 5' ' ' THR . 23.1 t -65.31 -42.9 94.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 112.944 -1.934 . . . . 1.31 109.078 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.61 97.31 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.699 -1.137 . . . . 1.25 110.899 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 9.3 mm-40 -69.05 -47.06 66.32 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.077 0.465 . . . . 2.41 110.286 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.76 -32.96 73.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.419 -0.81 . . . . 2.57 111.04 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.0 -20.49 23.21 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.842 -0.617 . . . . 1.32 111.529 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.61 40.6 14.77 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.212 -0.994 . . . . 0.72 110.637 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.8 m -136.24 -171.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.035 -0.583 . . . . 1.26 109.731 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.3 m -97.78 153.95 17.94 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.815 -0.809 . . . . 1.03 108.815 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.622 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 35.8 p90 -53.11 -45.59 68.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.357 -0.383 . . . . 2.26 111.204 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -23.48 66.93 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.792 -0.363 . . . . 2.69 111.352 176.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.5 m -70.12 -43.29 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.83 -0.804 . . . . 1.18 108.83 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.563 ' O ' HG21 ' A' ' 24' ' ' VAL . 79.6 t -58.79 -46.86 90.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.076 -0.965 . . . . 1.28 110.847 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.9 m -59.06 -28.88 66.87 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.776 0.322 . . . . 1.22 111.44 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -74.6 -28.95 61.13 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.988 -0.551 . . . . 3.12 109.823 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.44 HG23 HG13 ' A' ' 30' ' ' VAL . 95.4 t -79.3 -42.6 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.383 0.611 . . . . 1.33 109.826 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.563 HG21 ' O ' ' A' ' 20' ' ' VAL . 19.4 t -65.55 -53.48 38.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.948 -1.024 . . . . 1.37 111.66 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -82.62 -34.36 27.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.97 1.1 . . . . 1.24 113.97 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.686 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 43.0 mt-30 -125.41 -117.72 0.28 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 118.163 0.438 . . . . 5.01 111.196 -177.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 155.89 -29.64 0.0 OUTLIER 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.816 1.323 . . . . 3.09 111.985 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -42.87 -92.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.955 1.094 . . . . 2.08 113.955 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -61.73 42.24 0.01 OUTLIER 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.806 1.242 . . . . 2.33 114.323 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.44 HG13 HG23 ' A' ' 23' ' ' VAL . 2.8 t -135.81 113.89 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.275 0 N-CA-C 108.475 -0.935 . . . . 1.54 108.475 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.1 m -50.63 135.15 23.58 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 123.881 0.738 . . . . 1.42 109.644 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.25 -36.96 53.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.261 -0.427 . . . . 1.68 110.934 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -60.09 -37.69 80.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 3.58 111.471 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -91.23 -42.62 10.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.53 0.567 . . . . 1.56 112.53 -178.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 35' ' ' ARG . 36.9 ttp180 -55.54 -51.3 67.53 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.204 0.526 . . . . 4.14 112.043 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -69.58 -19.8 63.66 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.352 -0.84 . . . . 1.72 110.736 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -86.4 -28.86 23.3 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.191 -0.459 . . . . 1.95 110.033 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 34' ' ' THR . 83.2 t -74.08 -40.03 51.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.003 -0.74 . . . . 1.27 109.003 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -60.82 -32.02 71.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.626 . . . . 1.7 109.815 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -75.7 -29.81 59.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.054 -0.976 . . . . 1.38 110.726 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.636 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -65.4 -44.22 88.18 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.718 -0.475 . . . . 1.24 109.718 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.6 mtt -56.21 -26.53 51.41 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.298 -0.865 . . . . 1.29 112.758 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.68 -24.14 29.1 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.631 0.729 . . . . 1.33 110.397 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 35.3 mm-40 -72.89 -60.92 2.0 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.023 -0.989 . . . . 1.55 112.577 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -84.53 -5.98 59.34 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.539 -0.755 . . . . 2.37 112.167 -178.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.486 ' N ' HD22 ' A' ' 45' ' ' LEU . 72.9 m-20 69.87 66.4 0.23 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.528 0.517 . . . . 2.34 110.892 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.536 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.5 t80 -81.78 126.43 31.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.31 -0.405 . . . . 2.17 111.834 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.77 117.17 34.18 Favored Pre-proline 0 N--CA 1.443 -0.812 0 N-CA-C 109.497 -0.557 . . . . 1.99 109.497 177.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.01 121.44 10.0 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.144 2.563 . . . . 0.78 112.213 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -74.31 99.49 3.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.024 0.44 . . . . 0.69 111.684 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -58.94 -33.07 70.18 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.561 -0.745 . . . . 4.93 112.703 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -40.25 64.83 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 118.118 0.417 . . . . 0.7 110.469 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.37 80.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.475 -0.935 . . . . 1.2 108.475 178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -57.95 -28.94 64.78 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.947 -1.479 . . . . 1.82 109.931 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -83.57 -41.15 18.21 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.593 -0.276 . . . . 3.08 110.401 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.432 HD21 HD21 ' B' ' 56' ' ' LEU . 12.6 tp -56.53 -53.66 54.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.62 0.575 . . . . 1.24 110.886 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.23 -12.23 53.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.735 0.778 . . . . 1.23 109.378 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.194 0 CA-C-N 114.328 -1.306 . . . . 1.86 114.516 -179.675 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 N--CA 1.46 -0.446 0 N-CA-C 109.958 -0.824 . . . . 2.12 109.958 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.594 HG22 ' O ' ' B' ' 45' ' ' LEU . 20.4 t -81.56 153.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.091 -0.959 . . . . 1.33 109.546 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.489 ' O ' HG21 ' B' ' 9' ' ' VAL . 76.9 p -135.53 171.13 14.89 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.914 -0.585 . . . . 1.29 111.421 -176.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.53 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 0.5 OUTLIER -50.21 -29.78 10.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.125 0.488 . . . . 1.29 111.258 178.765 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -71.86 -38.35 70.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.93 -0.577 . . . . 2.01 110.922 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -31.62 70.46 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.605 0.717 . . . . 1.45 109.258 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.489 HG21 ' O ' ' B' ' 5' ' ' THR . 29.0 t -71.06 -45.13 73.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.692 -1.14 . . . . 1.22 110.684 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.52 94.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.871 -0.604 . . . . 1.12 111.837 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -62.11 -52.84 62.24 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.023 -0.535 . . . . 2.46 112.231 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -60.2 -48.97 79.49 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.825 0.676 . . . . 2.19 112.825 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.484 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -69.77 -19.82 63.5 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 112.437 0.532 . . . . 1.26 112.437 -177.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.91 47.46 19.41 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 119.87 -1.157 . . . . 1.09 111.622 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -132.65 165.13 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.238 0 N-CA-C 107.914 -1.143 . . . . 1.25 107.914 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.4 p -68.85 152.02 45.84 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.335 -1.357 . . . . 1.31 107.335 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -17.81 63.87 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 111.717 0.266 . . . . 2.42 111.717 -178.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -25.01 32.84 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.877 -0.786 . . . . 1.44 108.877 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.421 ' O ' HG21 ' B' ' 23' ' ' VAL . 19.7 m -62.59 -36.59 83.21 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.571 -0.74 . . . . 1.22 109.471 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.53 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 2.7 t -65.66 -47.75 85.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 114.641 -1.163 . . . . 1.78 109.2 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.7 t -56.34 -48.26 77.13 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.882 -1.155 . . . . 1.13 107.882 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -42.16 64.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.014 -0.994 . . . . 3.37 112.665 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.421 HG21 ' O ' ' B' ' 19' ' ' THR . 77.4 t -75.2 -33.15 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.169 0.509 . . . . 1.37 110.921 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 t -75.67 -33.14 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.809 -0.632 . . . . 1.33 110.897 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -76.12 -82.26 0.08 Allowed 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.581 0.705 . . . . 1.3 110.708 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -154.87 96.78 1.89 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.345 -1.298 . . . . 4.39 109.577 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.12 120.96 5.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.783 -0.644 . . . . 2.82 110.385 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -159.44 -46.11 0.05 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.895 -0.593 . . . . 1.96 111.136 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -103.13 39.1 1.62 Allowed 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.203 -1.036 . . . . 1.64 108.203 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -137.74 141.15 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.147 -0.933 . . . . 1.61 109.727 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.465 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 72.2 m -75.73 160.23 30.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.066 -0.515 . . . . 1.09 110.468 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.92 -51.89 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.819 0.342 . . . . 1.64 111.584 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -52.79 -59.51 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.518 -0.764 . . . . 3.67 110.937 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.465 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -52.84 -41.08 63.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.682 -1.145 . . . . 1.21 112.103 -179.077 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.574 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 21.9 ttp180 -63.15 -48.44 78.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.4 0.619 . . . . 4.13 110.802 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -75.14 -25.55 58.48 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.274 -0.876 . . . . 1.96 112.357 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.484 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 10.3 tppt? -68.33 -39.84 81.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.281 0.562 . . . . 2.4 109.695 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.442 ' O ' ' HG3' ' B' ' 42' ' ' MET . 73.9 t -70.15 -40.18 77.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.405 -0.816 . . . . 1.22 110.346 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 36.7 mt-10 -63.42 -40.78 98.1 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.057 -0.52 . . . . 1.68 110.04 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.06 -48.88 76.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.658 -0.701 . . . . 1.3 110.547 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.37 -30.21 27.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.298 -0.865 . . . . 1.29 111.779 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.442 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 58.1 mtt -62.18 -21.74 65.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.117 -0.492 . . . . 1.2 110.564 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.83 -51.41 5.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.348 -0.387 . . . . 1.34 110.823 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.59 -46.89 83.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.263 -0.88 . . . . 1.58 109.855 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.594 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -74.81 -21.87 59.05 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.781 -1.1 . . . . 1.76 110.936 179.256 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t30 64.93 45.61 3.13 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 107.063 -1.458 . . . . 1.3 107.063 -175.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.565 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.3 t80 -59.83 121.09 10.85 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 114.568 -1.196 . . . . 2.36 111.131 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.1 mm -127.05 106.02 22.16 Favored Pre-proline 0 N--CA 1.435 -1.191 0 N-CA-C 104.228 -2.508 . . . . 1.83 104.228 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.436 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 2.1 Cg_exo -34.03 126.29 0.17 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.944 3.096 . . . . 0.79 114.415 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.476 ' HB2' HG22 ' B' ' 5' ' ' THR . 38.8 t-20 -65.93 81.34 0.07 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.193 -0.912 . . . . 0.85 110.714 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -48.14 -25.63 1.55 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 114.259 1.207 . . . . 5.23 114.259 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 16.2 m -77.73 -52.47 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.556 -0.715 . . . . 0.75 110.959 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.56 -34.87 67.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.025 -0.534 . . . . 1.34 110.964 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.436 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 26.0 mt-30 -70.13 -28.32 65.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.914 -0.584 . . . . 1.04 111.938 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -81.26 -22.29 38.81 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.866 -1.161 . . . . 3.01 107.866 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.432 HD21 HD21 ' A' ' 56' ' ' LEU . 1.2 tp -85.39 -39.45 17.58 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.028 -0.987 . . . . 1.26 111.133 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.96 2.49 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.268 0.47 . . . . 1.29 112.268 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.184 0 C-N-CA 120.9 -0.667 . . . . 1.6 113.542 179.503 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo . . . . . 0 CA--C 1.534 0.486 0 CA-C-O 122.002 0.751 . . . . 2.2 113.333 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.596 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 43.8 t -116.29 -179.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 106.453 -1.684 . . . . 1.47 106.453 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.477 ' O ' HG21 ' A' ' 9' ' ' VAL . 8.4 p -140.14 165.5 27.19 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 118.679 0.672 . . . . 1.36 110.398 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.492 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -63.78 -20.91 66.14 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.08 -0.964 . . . . 1.24 109.937 177.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -76.1 -36.56 58.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 116.309 -0.405 . . . . 0.82 110.301 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.59 -40.6 95.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.761 -1.2 . . . . 1.86 107.761 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.482 HG23 ' CD2' ' A' ' 47' ' ' TYR . 39.5 t -64.27 -46.28 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 113.942 -1.481 . . . . 1.31 109.7 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.44 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -63.1 -39.19 93.96 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.596 -1.184 . . . . 1.25 111.179 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -66.93 -49.99 63.77 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.127 0.489 . . . . 2.41 110.019 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -59.37 -34.47 72.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.718 -0.673 . . . . 2.57 111.092 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -87.82 -19.77 26.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.008 -0.996 . . . . 1.32 112.048 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.54 32.76 54.07 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.182 -1.167 . . . . 0.72 110.182 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.44 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 29.1 m -124.16 -169.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 114.948 -0.626 . . . . 1.26 110.228 -177.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.9 m -100.54 150.49 22.63 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.27 -1.011 . . . . 1.03 108.27 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.492 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.4 p90 -52.45 -39.19 60.79 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.206 -0.598 . . . . 2.26 111.004 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.471 ' NE2' ' HG3' ' A' ' 22' ' ' ARG . 8.0 tp60 -65.32 -27.22 68.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 120.567 -0.453 . . . . 2.69 111.372 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.419 ' O ' HG22 ' A' ' 23' ' ' VAL . 85.1 m -65.29 -41.44 94.14 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.561 -0.903 . . . . 1.18 108.561 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.429 ' O ' HG21 ' A' ' 24' ' ' VAL . 80.5 t -63.91 -55.06 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.623 -1.171 . . . . 1.28 110.086 176.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m -58.38 -26.4 63.15 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.31 -0.405 . . . . 1.22 112.048 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.471 ' HG3' ' NE2' ' A' ' 18' ' ' GLN . 23.2 mtm-85 -68.81 -32.09 71.56 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.404 -0.591 . . . . 3.12 109.404 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 19' ' ' THR . 58.2 t -85.95 -42.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.703 -0.68 . . . . 1.33 111.083 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 20' ' ' VAL . 21.8 t -63.34 -47.55 91.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.561 -0.745 . . . . 1.37 111.592 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.48 ' C ' ' HG2' ' A' ' 26' ' ' GLN . 9.2 m-80 -66.64 -43.09 85.57 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.77 -0.65 . . . . 1.24 112.501 -178.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.48 ' HG2' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -166.15 -67.08 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.476 0.547 . . . . 5.01 112.476 -178.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 97.86 145.91 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 125.749 1.619 . . . . 3.09 112.396 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 t -171.64 -89.26 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.274 -1.33 . . . . 2.08 107.844 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -66.56 52.48 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.596 1.158 . . . . 2.33 112.381 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -140.57 129.95 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 N-CA-C 107.229 -1.397 . . . . 1.54 107.229 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.492 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 36.2 m -60.21 132.72 54.81 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 109.343 -0.614 . . . . 1.42 109.343 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.606 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -52.43 -36.97 55.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 1.68 111.097 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -59.67 -42.78 93.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.596 -0.729 . . . . 3.58 110.314 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' A' ' 31' ' ' SER . 0.0 OUTLIER -72.27 -39.87 68.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.711 -0.222 . . . . 1.56 111.2 -179.066 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -55.89 -48.78 75.01 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.271 0.557 . . . . 4.14 111.609 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 14.2 mt-10 -68.96 -19.79 64.17 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.984 -1.007 . . . . 1.72 110.929 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -86.44 -32.24 20.96 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.579 -0.282 . . . . 1.95 110.417 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.423 HG11 ' HA ' ' A' ' 20' ' ' VAL . 53.6 t -74.6 -43.2 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.359 -0.608 . . . . 1.27 109.359 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.451 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 33.8 mt-10 -66.05 -21.7 66.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.18 -0.918 . . . . 1.7 110.177 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.709 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -82.67 -35.72 26.59 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.195 -0.911 . . . . 1.38 109.251 177.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.68 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -68.24 -46.21 71.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.282 -0.417 . . . . 1.24 110.266 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.573 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.8 ptp -68.16 -17.96 64.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.398 -0.819 . . . . 1.29 111.424 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.28 -24.11 27.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.305 -0.628 . . . . 1.33 109.305 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.709 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 48.4 mm-40 -72.45 -63.12 1.22 Allowed 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 114.995 -1.002 . . . . 1.55 112.509 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -77.75 -0.78 28.3 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.289 -0.869 . . . . 2.37 111.384 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.403 ' N ' HD22 ' A' ' 45' ' ' LEU . 6.4 t-20 66.11 65.53 0.51 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.697 0.76 . . . . 2.34 111.937 176.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.596 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.0 t80 -84.23 125.39 32.17 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.071 -0.968 . . . . 2.17 112.28 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -112.13 114.28 51.24 Favored Pre-proline 0 N--CA 1.443 -0.798 0 CA-C-N 114.861 -1.063 . . . . 1.99 109.47 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -60.55 115.08 2.43 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 121.858 1.706 . . . . 0.78 110.962 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -76.71 103.61 6.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.49 0.662 . . . . 0.69 111.512 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -65.79 -16.42 63.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 4.93 110.642 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.36 -45.43 62.88 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.367 -0.605 . . . . 0.7 109.367 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.479 ' HB2' ' CD1' ' B' ' 56' ' ' LEU . . . -67.42 -38.03 83.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.343 -0.844 . . . . 1.2 109.64 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.89 -44.65 96.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.068 -0.969 . . . . 1.82 110.149 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -62.47 -29.02 70.22 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.085 0.469 . . . . 3.08 110.606 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 tp -77.6 -45.53 24.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.977 -0.556 . . . . 1.24 110.842 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.28 -19.72 61.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.88 -0.6 . . . . 1.23 111.327 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.859 0 C-N-CA 120.926 -0.654 . . . . 1.86 111.97 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 N--CA 1.452 -0.937 0 CA-C-O 121.194 0.414 . . . . 2.12 111.057 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.606 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 4.9 t -127.82 174.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.455 -0.793 . . . . 1.33 109.947 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -136.06 161.75 34.82 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 119.388 -0.339 . . . . 1.29 111.568 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.83 -29.56 55.24 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 123.657 0.598 . . . . 1.29 111.278 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -67.98 -36.97 80.92 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 116.228 -0.442 . . . . 2.01 110.95 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -71.63 -26.71 62.67 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.466 -0.494 . . . . 1.45 109.969 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.0 -44.43 50.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-N 115.925 -0.58 . . . . 1.22 110.047 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.03 -52.71 64.18 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.087 -0.96 . . . . 1.12 111.0 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.23 -51.77 68.35 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.786 -1.097 . . . . 2.46 111.773 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.481 ' CB ' HD13 ' B' ' 45' ' ' LEU . 24.8 t80 -61.17 -53.83 52.05 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.642 0.608 . . . . 2.19 112.642 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.04 69.44 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 120.815 0.34 . . . . 1.26 111.874 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.68 51.49 4.04 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.761 -0.733 . . . . 1.09 111.4 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.2 m -136.56 163.93 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.809 0 N-CA-C 108.407 -0.96 . . . . 1.25 108.407 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 30.6 p -67.06 157.31 33.86 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.498 -1.297 . . . . 1.31 107.498 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -13.39 61.97 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.84 0.352 . . . . 2.42 110.217 -178.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -85.49 -40.7 16.07 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.306 -1.368 . . . . 1.44 107.306 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -49.74 -35.39 22.0 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.117 -1.402 . . . . 1.22 110.627 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.55 -49.43 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.019 -0.991 . . . . 1.78 110.072 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.3 m -52.49 -49.24 65.12 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.247 -1.39 . . . . 1.13 107.247 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -53.04 -46.06 68.3 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 113.711 -1.586 . . . . 3.37 112.861 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.07 -34.8 46.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.58 -0.282 . . . . 1.37 110.892 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.21 -30.45 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-N 115.52 -0.764 . . . . 1.33 111.405 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -97.5 -83.43 0.4 Allowed 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 112.719 0.637 . . . . 1.3 112.719 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -149.97 93.65 2.05 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.363 -0.835 . . . . 4.39 109.703 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.1 124.44 10.18 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.619 -0.719 . . . . 2.82 109.68 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.35 -42.66 1.66 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.322 0.582 . . . . 1.96 111.308 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -122.46 37.94 4.27 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.325 -0.852 . . . . 1.64 108.905 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.13 125.64 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.112 -0.949 . . . . 1.61 111.333 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.479 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 57.3 m -62.74 157.17 21.73 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.61 -0.723 . . . . 1.09 110.578 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.83 -58.3 8.44 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.11 0.782 . . . . 1.64 113.11 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -53.21 -49.5 66.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.313 -0.403 . . . . 3.67 111.711 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.492 ' O ' HG22 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -59.43 -33.86 71.79 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 123.601 0.563 . . . . 1.21 111.84 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 36.5 ttp85 -72.82 -42.4 63.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.245 0.545 . . . . 4.13 109.817 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.6 -39.03 77.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.52 -0.763 . . . . 1.96 111.951 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -59.48 -43.37 93.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.279 -0.873 . . . . 2.4 111.542 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' B' ' 42' ' ' MET . 87.5 t -68.22 -37.13 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 CA-C-N 115.618 -0.719 . . . . 1.22 110.761 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.97 -34.87 77.38 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.537 -0.756 . . . . 1.68 109.623 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.93 70.33 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.215 0.531 . . . . 1.3 110.658 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.507 ' O ' HD12 ' B' ' 45' ' ' LEU . . . -55.16 -28.81 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.775 -1.102 . . . . 1.29 112.555 178.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 67.0 mtt -65.54 -20.4 66.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.005 -0.543 . . . . 1.2 110.136 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.85 -54.11 4.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.795 -0.639 . . . . 1.34 111.947 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.47 -56.12 15.07 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.203 1.001 . . . . 1.58 111.884 -179.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.507 HD12 ' O ' ' B' ' 41' ' ' ALA . 2.4 mt -76.91 -8.05 56.66 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.438 -1.71 . . . . 1.76 112.87 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.513 ' O ' HG12 ' B' ' 48' ' ' ILE . 6.1 t-20 57.21 47.21 17.44 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.397 0.618 . . . . 1.3 109.435 -177.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.606 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.0 t80 -57.15 125.82 24.42 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.997 -1.001 . . . . 2.36 109.224 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.513 HG12 ' O ' ' B' ' 46' ' ' ASN . 29.3 mm -134.7 100.36 12.31 Favored Pre-proline 0 N--CA 1.429 -1.5 0 N-CA-C 104.269 -2.493 . . . . 1.83 104.269 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.453 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.1 OUTLIER -30.05 127.65 0.06 OUTLIER 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 124.729 3.62 . . . . 0.79 115.58 -176.641 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.589 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 39.2 t-20 -62.33 87.78 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 115.856 -0.611 . . . . 0.85 109.58 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -53.72 -27.56 28.94 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.991 1.108 . . . . 5.23 113.991 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 56.3 m -77.92 -60.82 2.21 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 111.976 0.362 . . . . 0.75 111.976 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.66 99.35 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.109 -0.496 . . . . 1.34 111.313 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 47.8 mt-30 -56.57 -59.1 5.49 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.312 -0.858 . . . . 1.04 110.07 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -51.1 -27.73 9.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.241 -0.436 . . . . 3.01 110.946 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 53' ' ' ALA . 2.0 tp -75.43 -46.47 32.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.002 -0.545 . . . . 1.26 110.206 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.1 6.29 3.59 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.852 0.686 . . . . 1.29 112.852 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.683 0 C-N-CA 119.876 -1.154 . . . . 1.6 114.562 178.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo . . . . . 0 CA--C 1.517 -0.338 0 N-CA-C 111.235 -0.333 . . . . 2.2 111.235 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.533 ' O ' ' HD1' ' A' ' 47' ' ' TYR . 65.0 t -117.92 125.21 74.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.777 -1.194 . . . . 1.47 107.777 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.495 ' O ' HG23 ' A' ' 9' ' ' VAL . 18.0 p -99.98 178.27 4.85 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 113.228 0.825 . . . . 1.36 113.228 -176.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.497 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.47 -17.46 64.81 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.657 -1.156 . . . . 1.24 109.835 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -76.04 -41.14 51.74 Favored 'General case' 0 N--CA 1.46 0.06 0 CA-C-N 116.219 -0.446 . . . . 0.82 110.526 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -64.88 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 122.649 1.214 . . . . 1.86 107.792 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 5' ' ' THR . 42.6 t -66.15 -48.24 82.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 112.868 -1.969 . . . . 1.31 110.264 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.98 -39.03 80.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 1.25 111.22 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -49.99 57.57 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.708 -0.678 . . . . 2.41 111.161 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.462 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 70.5 t80 -66.76 -24.74 66.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.561 -0.29 . . . . 2.57 111.682 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.91 -24.49 22.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.851 0.834 . . . . 1.32 110.525 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.45 43.65 15.11 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 110.423 -1.071 . . . . 0.72 110.423 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -135.05 -167.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.714 -0.743 . . . . 1.26 110.057 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.1 p -97.88 151.98 19.68 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.246 -1.39 . . . . 1.03 107.246 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.497 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 16.5 p90 -55.03 -38.2 67.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 109.473 -0.565 . . . . 2.26 109.473 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -33.68 76.2 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.456 -0.793 . . . . 2.69 111.462 177.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.4 m -64.12 -40.98 97.34 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.107 -0.701 . . . . 1.18 109.107 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 24' ' ' VAL . 43.5 t -59.97 -51.33 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 115.624 -0.716 . . . . 1.28 110.17 177.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -30.55 70.44 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.522 -0.763 . . . . 1.22 110.459 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 39.1 mtt180 -69.74 -31.77 69.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.658 -0.867 . . . . 3.12 108.658 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.53 ' CG2' ' HA ' ' A' ' 35' ' ' ARG . 78.0 t -80.12 -40.44 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-O 120.828 0.347 . . . . 1.33 110.736 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 20' ' ' VAL . 40.2 t -61.36 -41.21 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-O 121.74 0.781 . . . . 1.37 109.051 178.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -71.32 -33.97 70.13 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.387 -1.279 . . . . 1.24 111.61 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 21.9 mt-30 65.72 53.49 1.18 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.23 0.612 . . . . 5.01 112.136 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.04 -161.27 0.76 Allowed 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.869 -0.605 . . . . 3.09 111.788 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.2 p -91.93 -173.88 3.63 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.61 -0.723 . . . . 2.08 109.762 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.8 m170 61.31 25.05 15.07 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 122.02 0.914 . . . . 2.33 110.471 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 22' ' ' ARG . 59.5 t -136.85 126.49 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 114.788 -1.096 . . . . 1.54 110.382 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m -74.02 142.96 45.73 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.599 0.714 . . . . 1.42 111.052 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.78 -30.58 70.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.921 -0.581 . . . . 1.68 110.712 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -60.0 -52.13 66.69 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.197 0.522 . . . . 3.58 110.353 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.511 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -66.62 -36.19 81.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.209 -0.45 . . . . 1.56 111.274 -179.445 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.53 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 38.8 ttp180 -59.13 -45.69 90.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.332 -0.395 . . . . 4.14 111.51 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.13 -27.07 62.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.898 0.703 . . . . 1.72 112.898 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -82.11 -25.07 34.76 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.489 0.662 . . . . 1.95 110.96 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 34' ' ' THR . 69.1 t -80.91 -40.62 18.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.277 -0.874 . . . . 1.27 109.369 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.87 -34.47 73.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.111 -0.95 . . . . 1.7 109.792 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.73 -38.03 79.89 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.509 -1.223 . . . . 1.38 110.204 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.53 89.36 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.327 -0.852 . . . . 1.24 110.614 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.444 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 23.7 mtt -61.29 -27.91 68.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.864 0.69 . . . . 1.29 112.864 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.29 -32.39 24.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.589 0.709 . . . . 1.33 110.34 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' HG3' ' CE2' ' A' ' 12' ' ' TYR . 21.1 mm-40 -65.64 -57.63 7.64 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-N 114.697 -1.138 . . . . 1.55 110.576 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.92 -9.11 59.46 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.288 -1.324 . . . . 2.37 112.543 -177.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.4 m120 62.21 58.81 1.72 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.84 0.829 . . . . 2.34 109.091 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.533 ' HD1' ' O ' ' A' ' 4' ' ' VAL . 5.7 t80 -76.35 125.45 29.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.667 -1.151 . . . . 2.17 111.315 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.52 113.1 63.45 Favored Pre-proline 0 N--CA 1.441 -0.908 0 N-CA-C 109.179 -0.674 . . . . 1.99 109.179 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.04 126.76 17.85 Favored 'Trans proline' 0 N--CA 1.475 0.421 0 C-N-CA 122.832 2.355 . . . . 0.78 111.888 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -85.45 98.6 10.69 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.504 0.668 . . . . 0.69 112.065 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -19.15 63.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.487 -0.779 . . . . 4.93 111.057 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.46 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -77.85 -37.36 48.54 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.261 -0.882 . . . . 0.7 110.003 -179.741 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HB1' ' CD1' ' B' ' 56' ' ' LEU . . . -78.41 -41.97 31.54 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.301 0.572 . . . . 1.2 109.978 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.418 HE21 ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -61.43 -31.6 71.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.566 -0.743 . . . . 1.82 110.21 179.218 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.59 -25.95 50.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.287 -0.634 . . . . 3.08 109.287 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.444 HD22 ' CD2' ' B' ' 56' ' ' LEU . 11.2 tp -63.13 -53.65 50.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.559 -0.746 . . . . 1.24 110.199 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.64 -15.04 58.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.491 0.662 . . . . 1.23 110.501 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.08 0 CA-C-N 115.464 -0.789 . . . . 1.86 111.468 178.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.456 -0.679 0 CA-C-O 121.11 0.379 . . . . 2.12 112.032 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.655 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 54.5 t -107.07 164.15 4.84 Favored 'Isoleucine or valine' 0 C--O 1.243 0.745 0 N-CA-C 108.866 -0.79 . . . . 1.33 108.866 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.495 ' N ' HG12 ' B' ' 4' ' ' VAL . 32.4 p -132.9 162.26 32.07 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 119.978 -0.689 . . . . 1.29 110.279 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.53 -28.31 59.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.672 0.272 . . . . 1.29 110.905 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -67.76 -35.0 77.92 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.629 0.728 . . . . 2.01 111.139 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -71.12 -34.46 71.09 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.26 -0.645 . . . . 1.45 109.26 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.445 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 60.5 t -68.67 -40.9 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.219 -0.9 . . . . 1.22 110.848 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.44 -52.23 64.34 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.499 -0.773 . . . . 1.12 111.446 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.28 -49.53 77.26 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.238 -0.892 . . . . 2.46 112.603 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -57.91 -43.53 86.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.435 0.531 . . . . 2.19 112.435 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.405 ' HB1' ' CG ' ' B' ' 37' ' ' LYS . . . -75.64 -21.94 57.25 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.675 -0.41 . . . . 1.26 111.502 -177.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.81 46.44 5.99 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.76 -0.733 . . . . 1.09 112.71 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.457 ' HB ' HG23 ' B' ' 19' ' ' THR . 18.7 m -135.24 167.29 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 N-CA-C 108.438 -0.949 . . . . 1.25 108.438 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.7 m -74.41 163.79 27.37 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 120.182 -0.607 . . . . 1.31 109.657 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -40.73 96.21 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 120.873 0.368 . . . . 2.42 110.771 -178.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -62.06 -31.98 72.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.231 -0.918 . . . . 1.44 111.03 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.457 HG23 ' HB ' ' B' ' 15' ' ' VAL . 5.7 m -59.8 -49.9 75.91 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.646 0.779 . . . . 1.22 112.071 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.498 HG23 ' CG1' ' B' ' 38' ' ' VAL . 5.3 p -62.95 -43.8 99.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 115.75 -0.659 . . . . 1.78 111.242 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -48.83 74.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.146 -1.057 . . . . 1.13 108.146 177.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -52.4 -37.14 55.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.848 -1.069 . . . . 3.37 112.483 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.3 t -69.16 -40.58 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.437 -0.579 . . . . 1.37 109.437 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.13 -35.89 73.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-O 121.627 0.727 . . . . 1.33 109.181 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -9.36 58.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.803 -0.635 . . . . 1.3 110.903 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 55.74 44.14 26.74 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.994 -0.743 . . . . 4.39 108.994 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.94 161.79 25.72 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.863 -1.062 . . . . 2.82 111.259 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -28.02 27.9 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.409 -0.814 . . . . 1.96 111.898 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -83.66 47.04 1.23 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.066 -0.516 . . . . 1.64 110.982 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -137.28 120.6 21.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.09 -0.504 . . . . 1.61 109.951 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.439 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 69.9 m -66.74 151.96 46.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.078 -0.51 . . . . 1.09 110.339 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.59 75.92 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 120.694 0.283 . . . . 1.64 111.618 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -58.62 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.316 0.579 . . . . 3.67 111.656 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.453 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -56.52 -40.63 75.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.421 -1.263 . . . . 1.21 111.507 179.691 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 tpp85 -61.46 -50.35 73.13 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 123.289 0.368 . . . . 4.13 110.852 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.08 -31.59 71.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.974 -0.557 . . . . 1.96 112.455 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.405 ' CG ' ' HB1' ' B' ' 13' ' ' ALA . 2.1 ttpt -63.9 -40.77 97.26 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.933 0.873 . . . . 2.4 110.139 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.498 ' CG1' HG23 ' B' ' 20' ' ' VAL . 98.0 t -72.54 -43.07 63.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.845 -1.071 . . . . 1.22 111.412 -178.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -64.0 -34.9 79.05 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.13 0.49 . . . . 1.68 110.231 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.45 -46.24 67.2 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.823 -0.626 . . . . 1.3 110.044 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.91 -30.19 57.86 Favored 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 123.54 0.525 . . . . 1.29 111.605 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 63.3 mtt -63.03 -22.53 66.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.921 0.763 . . . . 1.2 110.009 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.95 -46.95 8.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 O-C-N 123.461 0.475 . . . . 1.34 110.769 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -44.46 85.96 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.808 -0.812 . . . . 1.58 108.808 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.641 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -74.61 -19.51 60.28 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 114.848 -1.069 . . . . 1.76 113.296 -179.326 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.407 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.8 OUTLIER 64.59 41.9 5.15 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 107.098 -1.445 . . . . 1.3 107.098 -175.385 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.655 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -55.21 124.8 18.13 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 114.223 -1.353 . . . . 2.36 111.607 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.407 HG12 ' O ' ' B' ' 46' ' ' ASN . 17.6 mm -134.53 99.58 12.93 Favored Pre-proline 0 N--CA 1.439 -0.996 0 N-CA-C 103.645 -2.724 . . . . 1.83 103.645 176.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -31.49 127.84 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 124.744 3.629 . . . . 0.79 115.595 -175.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -71.0 78.2 0.65 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 114.953 -1.022 . . . . 0.85 110.061 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.594 ' O ' ' HG3' ' B' ' 55' ' ' GLN . 8.0 tpp180 -52.79 -16.71 1.06 Allowed 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 115.18 -0.918 . . . . 5.23 113.018 -177.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.46 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 68.9 m -67.86 -60.99 2.09 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 121.488 0.661 . . . . 0.75 109.732 178.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.51 -25.67 41.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.259 -0.882 . . . . 1.34 111.126 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.505 ' HB2' ' HA ' ' B' ' 51' ' ' ARG . 3.6 mt-30 -61.78 -36.28 80.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.024 -0.534 . . . . 1.04 110.135 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.594 ' HG3' ' O ' ' B' ' 51' ' ' ARG . 37.7 mt-30 -70.63 -50.83 32.78 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 107.881 -1.155 . . . . 3.01 107.881 178.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.547 HD11 ' N ' ' B' ' 56' ' ' LEU . 5.9 mp -52.53 -41.44 63.49 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.247 -0.888 . . . . 1.26 111.394 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.51 -6.73 54.61 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 113.865 1.061 . . . . 1.29 113.865 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.531 0 C-N-CA 119.197 -1.478 . . . . 1.6 113.906 177.466 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo . . . . . 0 N--CA 1.458 -0.581 0 N-CA-C 111.249 -0.327 . . . . 2.2 111.249 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.542 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 19.4 t -51.57 162.38 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.304 -0.998 . . . . 1.47 108.304 176.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.525 ' N ' HG11 ' A' ' 4' ' ' VAL . 5.8 p -126.92 171.32 11.39 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.587 0.708 . . . . 1.36 110.669 -174.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -61.99 -21.64 65.01 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.947 -1.024 . . . . 1.24 109.51 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -77.44 -35.3 54.11 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.231 -0.44 . . . . 0.82 110.965 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.436 ' HB2' HG13 ' A' ' 4' ' ' VAL . 4.4 m-20 -65.77 -43.27 89.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.444 -1.317 . . . . 1.86 107.444 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 5' ' ' THR . 21.6 t -61.87 -46.44 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 113.218 -1.81 . . . . 1.31 109.736 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -59.43 -35.64 74.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.082 -0.963 . . . . 1.25 111.016 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -71.71 -46.55 58.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.347 0.594 . . . . 2.41 110.234 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.494 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 2.3 t80 -64.43 -37.44 87.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 122.141 0.972 . . . . 2.57 110.457 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.496 ' O ' ' HD2' ' A' ' 37' ' ' LYS . . . -87.39 -15.19 38.53 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 114.519 -1.218 . . . . 1.32 110.681 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.85 48.0 57.45 Favored Glycine 0 N--CA 1.437 -1.24 0 N-CA-C 111.117 -0.793 . . . . 0.72 111.117 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.435 HG23 ' HB1' ' A' ' 13' ' ' ALA . 27.2 m -135.57 -170.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.149 0 CA-C-N 114.825 -0.688 . . . . 1.26 109.164 -178.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -95.78 163.91 12.97 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.731 -1.211 . . . . 1.03 107.731 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.458 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.2 p90 -67.0 -35.17 79.35 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.26 -0.976 . . . . 2.26 109.792 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -63.27 -32.85 74.36 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.416 -0.586 . . . . 2.69 109.416 177.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 21.5 m -60.83 -46.59 89.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.259 0.552 . . . . 1.18 110.214 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.3 t -56.81 -47.58 82.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.424 -0.807 . . . . 1.28 110.504 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.54 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 12.1 m -66.3 -21.78 66.27 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.211 -0.45 . . . . 1.22 110.594 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 19' ' ' THR . 32.5 mmt180 -68.11 -37.55 81.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.871 -0.418 . . . . 3.12 109.871 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.6 t -86.99 -43.1 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 112.655 0.613 . . . . 1.33 112.655 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.98 -44.59 99.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.747 -0.66 . . . . 1.37 111.307 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 21' ' ' SER . 5.1 m-80 -70.63 -40.28 73.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.329 -0.85 . . . . 1.24 113.138 -177.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.42 -59.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.928 0.714 . . . . 5.01 112.928 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 86.76 131.64 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 124.722 1.209 . . . . 3.09 109.764 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.7 t -168.48 -88.29 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.121 -1.066 . . . . 2.08 108.121 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -70.16 49.78 0.11 Allowed 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.256 1.022 . . . . 2.33 111.294 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.74 126.15 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 107.375 -1.342 . . . . 1.54 107.375 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.63 141.11 57.92 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.424 -0.51 . . . . 1.42 109.936 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -51.53 -36.52 45.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 1.68 111.009 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -51.52 -42.18 61.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.467 -0.788 . . . . 3.58 110.795 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.93 -45.84 10.44 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.025 -0.989 . . . . 1.56 112.627 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -51.75 -45.38 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.573 0.583 . . . . 4.14 112.573 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 55.6 mt-10 -77.03 -17.69 58.64 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.906 -0.588 . . . . 1.72 111.09 -178.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.496 ' HD2' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -88.57 -28.77 20.5 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.68 -0.691 . . . . 1.95 110.448 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.4 t -78.42 -45.5 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-O 121.32 0.581 . . . . 1.27 109.534 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.406 ' HA ' ' HE2' ' A' ' 42' ' ' MET . 23.2 mt-10 -64.0 -23.39 67.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.272 -0.877 . . . . 1.7 109.785 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.36 -33.44 42.93 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.354 -0.839 . . . . 1.38 109.889 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.754 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -65.83 -42.71 90.24 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.042 -0.981 . . . . 1.24 110.285 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.406 ' HE2' ' HA ' ' A' ' 39' ' ' GLU . 24.5 mtt -60.47 -23.33 64.38 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.77 0.669 . . . . 1.29 112.565 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.55 -30.48 29.66 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.911 -0.774 . . . . 1.33 108.911 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 28.1 mm-40 -69.08 -62.65 1.29 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.751 -1.113 . . . . 1.55 112.549 -178.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.754 HD23 ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -80.61 -7.82 59.4 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.478 -0.783 . . . . 2.37 111.683 -179.347 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 67.12 68.89 0.39 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.518 0.675 . . . . 2.34 111.26 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.542 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.7 t80 -83.82 128.96 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.22 -0.9 . . . . 2.17 111.83 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.3 mp -111.53 109.41 55.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.959 -0.756 . . . . 1.99 108.959 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.39 117.84 4.71 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.322 2.015 . . . . 0.78 112.965 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -78.37 99.57 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.69 111.913 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -8.18 26.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 4.93 110.132 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.431 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -83.64 -35.04 24.9 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.64 -0.504 . . . . 0.7 109.64 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.423 ' HB2' HD13 ' B' ' 56' ' ' LEU . . . -80.28 -30.87 38.36 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.216 0.532 . . . . 1.2 109.81 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.63 -41.07 98.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.685 -1.143 . . . . 1.82 108.387 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -68.62 -26.39 65.33 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.041 -0.981 . . . . 3.08 110.545 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tp -73.89 -48.91 27.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.364 0.602 . . . . 1.24 110.322 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.72 -20.22 66.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.391 -0.822 . . . . 1.23 112.649 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.781 0 C-N-CA 120.002 -1.094 . . . . 1.86 112.899 -178.498 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 N--CA 1.456 -0.697 0 CA-C-O 121.906 0.711 . . . . 2.12 112.031 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.681 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 6.2 t -109.68 177.37 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 114.642 -1.163 . . . . 1.33 108.477 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.421 ' H ' ' CG1' ' B' ' 4' ' ' VAL . 10.9 p -137.14 158.75 43.75 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 118.987 -0.53 . . . . 1.29 110.235 -178.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.449 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 0.9 OUTLIER -53.94 -31.08 49.22 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 124.631 1.207 . . . . 1.29 110.438 177.557 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -68.33 -40.01 81.73 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 123.495 0.497 . . . . 2.01 111.022 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -62.95 -36.96 85.2 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.807 -0.812 . . . . 1.45 108.807 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.29 -44.4 97.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.243 -0.89 . . . . 1.22 109.514 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.9 -58.61 7.17 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.721 -0.672 . . . . 1.12 111.337 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.97 -41.06 82.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.777 0.658 . . . . 2.46 112.777 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -67.67 -49.39 63.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.956 0.408 . . . . 2.19 111.434 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -24.86 66.78 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 112.382 0.512 . . . . 1.26 112.382 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.0 46.42 5.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 119.981 -1.104 . . . . 1.09 111.572 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.41 ' HB ' HG23 ' B' ' 19' ' ' THR . 29.3 m -142.54 169.76 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 109.042 -0.725 . . . . 1.25 109.042 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -72.51 158.07 36.41 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 108.129 -1.063 . . . . 1.31 108.129 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -45.72 92.52 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 110.298 -0.26 . . . . 2.42 110.298 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -56.08 -34.18 65.74 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.157 0.503 . . . . 1.44 110.87 176.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.41 HG23 ' HB ' ' B' ' 15' ' ' VAL . 20.6 m -55.43 -37.56 67.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.126 -0.943 . . . . 1.22 109.916 178.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.449 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 16.8 t -68.6 -50.09 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.114 -0.948 . . . . 1.78 110.437 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 40.4 m -56.79 -45.19 82.33 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.165 -1.05 . . . . 1.13 108.165 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -48.92 -40.27 29.43 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 113.851 -1.522 . . . . 3.37 112.026 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.16 -43.8 43.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.425 0.631 . . . . 1.37 110.16 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.7 t -57.29 -50.99 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.03 -0.986 . . . . 1.33 112.137 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -66.28 -79.47 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 122.126 0.965 . . . . 1.3 111.223 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -168.81 85.96 0.17 Allowed 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 113.933 -1.485 . . . . 4.39 109.448 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.81 141.69 26.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 2.82 110.843 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 29.1 t -137.33 -71.46 0.44 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.564 -0.902 . . . . 1.96 108.564 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -81.43 47.32 1.03 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.295 -0.866 . . . . 1.64 109.315 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -130.54 148.43 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 1.61 111.053 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.36 143.03 30.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.918 -0.583 . . . . 1.09 109.515 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.18 -45.02 68.35 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.316 0.385 . . . . 1.64 111.426 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' B' ' 34' ' ' THR . 7.3 ttpp -51.76 -56.85 11.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.964 -0.562 . . . . 3.67 110.816 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.477 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.4 OUTLIER -62.01 -35.72 79.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.898 -0.592 . . . . 1.21 112.002 -179.769 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -64.32 -48.34 75.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.8 -0.636 . . . . 4.13 111.161 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -72.04 -28.06 63.12 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.88 -0.6 . . . . 1.96 110.959 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -66.31 -41.24 89.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 2.4 110.561 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.477 HG21 ' O ' ' B' ' 34' ' ' THR . 99.7 t -65.63 -42.57 93.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.142 -0.481 . . . . 1.22 110.504 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' B' ' 42' ' ' MET . 8.8 mt-10 -69.72 -32.18 70.6 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.534 -0.467 . . . . 1.68 110.946 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.8 -39.58 87.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.342 0.591 . . . . 1.3 109.604 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.13 -30.95 69.63 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.651 -0.704 . . . . 1.29 110.179 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.432 ' HB2' ' O ' ' B' ' 39' ' ' GLU . 45.2 mtt -63.14 -21.69 66.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.054 -0.975 . . . . 1.2 110.022 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.59 -47.63 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.744 -0.662 . . . . 1.34 110.639 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -50.66 -60.4 3.07 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.855 0.836 . . . . 1.58 112.252 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.461 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -80.4 -1.17 40.21 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 113.981 -1.463 . . . . 1.76 112.34 -177.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.09 47.43 11.92 Favored 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 109.599 -0.519 . . . . 1.3 109.599 -176.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.681 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.7 t80 -59.71 121.82 12.6 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 116.015 -0.539 . . . . 2.36 110.351 -178.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.5 mm -128.66 103.51 19.44 Favored Pre-proline 0 N--CA 1.438 -1.03 0 N-CA-C 103.695 -2.706 . . . . 1.83 103.695 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.427 ' HB3' ' CD ' ' B' ' 54' ' ' GLN . 0.5 OUTLIER -30.73 122.48 0.07 OUTLIER 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 124.871 3.714 . . . . 0.79 114.391 -177.453 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -56.49 91.66 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.364 -0.835 . . . . 0.85 110.962 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -49.43 -34.65 17.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.393 -0.821 . . . . 5.23 112.791 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 56.6 m -66.95 -62.93 1.19 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.187 0.518 . . . . 0.75 111.645 -178.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.39 67.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.592 -0.731 . . . . 1.34 112.475 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.427 ' CD ' ' HB3' ' B' ' 49' ' ' PRO . 5.7 mt-30 -64.48 -34.24 77.76 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.653 -0.419 . . . . 1.04 110.824 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -46.71 78.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.094 -1.076 . . . . 3.01 108.094 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 53' ' ' ALA . 4.8 mp -57.43 -50.81 71.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.191 -1.368 . . . . 1.26 111.102 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -5.39 35.91 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.369 -0.378 . . . . 1.29 111.605 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.371 0 C-N-CA 121.151 -0.547 . . . . 1.6 112.72 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 N--CA 1.448 -1.148 0 N-CA-C 108.845 -1.252 . . . . 2.2 108.845 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.626 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 69.0 t -116.75 176.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 115.501 -0.772 . . . . 1.47 109.827 -176.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.485 ' O ' HG23 ' A' ' 9' ' ' VAL . 26.8 p -133.25 164.53 26.87 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.078 -0.712 . . . . 1.36 109.078 -178.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.19 -16.62 62.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.091 0.472 . . . . 1.24 110.798 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -78.42 -39.58 38.4 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.639 -0.709 . . . . 0.82 110.331 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.22 -35.2 79.8 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.843 0.83 . . . . 1.86 109.511 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.554 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 24.0 t -67.02 -42.84 89.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 113.417 -1.72 . . . . 1.31 108.816 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 17' ' ' TYR . . . -62.49 -41.41 98.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.326 -0.852 . . . . 1.25 110.933 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.87 -51.86 59.73 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.786 -0.643 . . . . 2.41 111.315 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 61.4 t80 -69.28 -24.1 63.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.46 -0.336 . . . . 2.57 111.286 -178.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 9' ' ' VAL . . . -86.57 -25.69 24.87 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-O 121.304 0.573 . . . . 1.32 109.807 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.48 40.3 13.26 Favored Glycine 0 CA--C 1.503 -0.708 0 N-CA-C 110.042 -1.223 . . . . 0.72 110.042 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 35.4 m -133.22 -176.95 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 114.79 -0.705 . . . . 1.26 109.905 -177.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -91.05 154.43 19.41 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.435 -0.95 . . . . 1.03 108.435 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.42 ' HA ' ' HB1' ' A' ' 10' ' ' ALA . 17.7 p90 -55.66 -41.79 74.15 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.676 -0.81 . . . . 2.26 110.833 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -62.96 -24.62 67.97 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.322 -0.399 . . . . 2.69 110.981 177.218 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 23' ' ' VAL . 28.5 m -67.84 -40.66 83.7 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.455 -0.942 . . . . 1.18 108.455 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.682 ' O ' HG21 ' A' ' 24' ' ' VAL . 78.3 t -64.66 -54.05 34.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.546 -1.206 . . . . 1.28 110.99 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.6 t -60.34 -27.89 67.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.354 -0.839 . . . . 1.22 110.844 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 4.4 ttp180 -73.15 -27.53 61.71 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.242 -0.651 . . . . 3.12 109.242 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 19' ' ' THR . 53.1 t -82.39 -40.67 17.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.435 -0.802 . . . . 1.33 110.204 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.682 HG21 ' O ' ' A' ' 20' ' ' VAL . 12.3 t -66.65 -55.74 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.634 -0.712 . . . . 1.37 112.359 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -77.81 -26.08 49.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 113.874 1.064 . . . . 1.24 113.874 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.647 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 33.3 mt-30 -137.34 -113.39 0.17 Allowed 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 119.806 -0.757 . . . . 5.01 111.233 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 26' ' ' GLN . . . 156.73 -32.67 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 107.581 -1.266 . . . . 3.09 107.581 -177.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 p -69.33 152.8 44.55 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.353 -1.294 . . . . 2.08 108.085 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 69.42 23.83 5.97 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.494 -0.928 . . . . 2.33 108.494 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.9 t -144.18 136.78 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 114.601 -1.182 . . . . 1.54 109.037 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.441 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 58.3 m -73.95 145.32 44.78 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.422 -1.263 . . . . 1.42 109.55 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.57 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.97 -39.25 71.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.435 -0.348 . . . . 1.68 110.503 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.57 -41.53 81.26 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.286 0.565 . . . . 3.58 110.772 179.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.535 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -75.45 -41.24 56.21 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.679 0.622 . . . . 1.56 112.679 -179.356 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.409 ' NH1' ' HG2' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -56.35 -48.64 76.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.117 0.414 . . . . 4.14 112.117 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 2.5 mt-10 -70.51 -30.61 67.42 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.807 -0.633 . . . . 1.72 111.965 -177.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.433 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 11.5 ptpt -79.4 -25.62 42.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.293 0.568 . . . . 1.95 110.369 -177.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 34' ' ' THR . 69.1 t -83.41 -40.69 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.465 -0.789 . . . . 1.27 109.358 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -65.38 -27.13 68.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.433 -0.803 . . . . 1.7 109.699 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.582 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.72 -38.47 62.29 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.718 -0.674 . . . . 1.38 110.385 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.12 91.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.937 -0.574 . . . . 1.24 110.817 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 30.7 mtt -61.26 -30.53 70.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.887 -0.597 . . . . 1.29 111.515 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.18 -35.91 30.82 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.668 0.746 . . . . 1.33 109.71 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 25.9 mm-40 -61.61 -59.34 5.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.52 -1.218 . . . . 1.55 111.523 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -82.1 -12.59 58.14 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.778 -1.556 . . . . 2.37 113.077 -178.421 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 68.47 63.54 0.34 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.485 0.659 . . . . 2.34 110.487 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.626 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.4 t80 -83.69 124.42 30.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.804 -0.635 . . . . 2.17 110.667 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.57 112.51 51.25 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.728 -0.471 . . . . 1.99 109.728 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -53.5 114.88 1.96 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.709 2.273 . . . . 0.78 111.951 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.578 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 35.3 m-20 -73.06 100.74 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.466 -0.788 . . . . 0.69 111.262 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.626 ' HD3' ' OE1' ' A' ' 54' ' ' GLN . 32.2 mmt180 -58.98 -31.67 68.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.908 -1.042 . . . . 4.93 112.139 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -40.82 66.44 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 109.736 -0.468 . . . . 0.7 109.736 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.87 -47.0 82.43 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.84 -0.8 . . . . 1.2 108.84 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.626 ' OE1' ' HD3' ' A' ' 51' ' ' ARG . 53.9 mt-30 -56.22 -47.86 77.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.27 -0.877 . . . . 1.82 109.938 177.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -61.05 -32.86 72.48 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.154 -0.475 . . . . 3.08 110.929 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.25 -52.97 13.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.094 -0.503 . . . . 1.24 111.771 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.23 -17.54 60.31 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.617 0.599 . . . . 1.23 112.617 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.699 0 C-N-CA 120.239 -0.981 . . . . 1.86 113.079 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo . . . . . 0 N--CA 1.452 -0.969 0 N-CA-C 110.372 -0.665 . . . . 2.12 110.372 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.642 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 86.6 t -114.93 163.62 12.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 CA-C-N 115.558 -0.746 . . . . 1.33 109.752 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.513 ' N ' HG12 ' B' ' 4' ' ' VAL . 17.2 p -128.47 154.96 45.54 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.211 -0.662 . . . . 1.29 109.211 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.08 -24.88 19.07 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 121.785 -0.572 . . . . 1.29 111.842 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.47 ' CE1' ' CE1' ' B' ' 17' ' ' TYR . 41.0 m-85 -64.06 -35.63 81.38 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.05 -0.977 . . . . 2.01 110.387 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.55 -36.73 76.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.274 -0.876 . . . . 1.45 109.781 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.402 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 47.3 t -68.22 -48.38 73.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.395 -0.821 . . . . 1.22 110.622 -178.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -52.65 62.86 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.548 0.69 . . . . 1.12 110.643 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.48 -55.21 34.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.624 -1.171 . . . . 2.46 111.343 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -55.05 -51.54 66.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.228 -0.896 . . . . 2.19 113.05 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.499 ' CB ' ' HG3' ' B' ' 37' ' ' LYS . . . -66.82 -21.1 66.04 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.518 0.562 . . . . 1.26 112.518 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.14 43.78 7.36 Favored Glycine 0 N--CA 1.437 -1.293 0 C-N-CA 120.581 -0.819 . . . . 1.09 111.615 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.444 ' HB ' HG23 ' B' ' 19' ' ' THR . 17.2 m -137.32 166.25 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.229 0 N-CA-C 108.191 -1.04 . . . . 1.25 108.191 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 63.9 m -78.98 166.37 22.43 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 119.674 -0.81 . . . . 1.31 110.647 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.47 ' CE1' ' CE1' ' B' ' 7' ' ' TYR . 19.8 t80 -52.65 -54.6 31.11 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.161 0.984 . . . . 2.42 111.186 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -57.41 -31.17 65.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.986 -1.006 . . . . 1.44 112.116 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.444 HG23 ' HB ' ' B' ' 15' ' ' VAL . 2.6 m -59.22 -46.36 88.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.189 0.995 . . . . 1.22 109.778 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t -72.9 -48.84 43.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 113.847 -1.524 . . . . 1.78 110.606 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -61.29 -18.67 59.66 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 113.345 0.869 . . . . 1.13 113.345 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -92.1 -20.36 21.35 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 121.049 1.75 . . . . 3.37 107.749 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 53.0 t -75.72 -38.65 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 N-CA-C 108.333 -0.988 . . . . 1.37 108.333 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.09 -27.93 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 CA-C-N 114.899 -1.046 . . . . 1.33 108.457 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -83.65 -16.2 45.99 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.991 -0.549 . . . . 1.3 110.237 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 67.81 32.81 5.11 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.483 -0.78 . . . . 4.39 109.973 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.94 173.42 12.18 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.753 -0.658 . . . . 2.82 111.438 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -95.72 -179.09 4.61 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.899 -0.591 . . . . 1.96 110.429 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 18.5 m170 69.33 43.29 1.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.224 0.609 . . . . 1.64 111.074 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.5 132.96 45.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.612 -0.722 . . . . 1.61 109.092 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.631 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 70.1 m -70.13 152.49 44.26 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.928 -0.578 . . . . 1.09 110.56 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.1 73.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 1.64 111.234 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -53.75 -54.16 42.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.17 0.509 . . . . 3.67 110.99 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.631 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.3 OUTLIER -54.0 -38.85 65.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.405 -0.816 . . . . 1.21 112.539 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -65.54 -48.76 71.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.118 0.485 . . . . 4.13 110.468 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.13 -32.25 72.4 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.908 -1.042 . . . . 1.96 111.657 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.499 ' HG3' ' CB ' ' B' ' 13' ' ' ALA . 12.5 tppt? -62.12 -40.28 95.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.749 -0.66 . . . . 2.4 110.241 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.501 HG22 ' O ' ' B' ' 34' ' ' THR . 59.7 t -73.03 -38.36 55.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.376 -0.829 . . . . 1.22 111.233 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -64.95 -33.91 77.16 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.425 0.631 . . . . 1.68 109.746 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.77 47.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.226 -0.897 . . . . 1.3 110.631 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.0 -29.32 57.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.041 -0.981 . . . . 1.29 113.248 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.496 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 58.4 mtt -65.0 -21.85 66.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.662 -0.699 . . . . 1.2 109.879 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.63 -49.71 7.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.351 -0.841 . . . . 1.34 110.712 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -53.26 60.33 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.644 0.735 . . . . 1.58 112.06 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.572 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -67.67 -19.43 65.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.315 -0.857 . . . . 1.76 111.386 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.532 ' O ' HG12 ' B' ' 48' ' ' ILE . 1.0 OUTLIER 65.84 43.54 3.08 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.047 -1.464 . . . . 1.3 107.047 -176.006 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.642 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.0 t80 -51.49 121.07 5.79 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 114.376 -1.284 . . . . 2.36 110.353 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.532 HG12 ' O ' ' B' ' 46' ' ' ASN . 34.1 mm -134.41 93.92 18.26 Favored Pre-proline 0 N--CA 1.435 -1.177 0 N-CA-C 103.864 -2.643 . . . . 1.83 103.864 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.4 ' HB3' ' CD ' ' B' ' 54' ' ' GLN . 1.0 OUTLIER -29.56 124.78 0.06 OUTLIER 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 124.842 3.695 . . . . 0.79 115.511 -176.512 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -59.41 85.01 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.565 -0.743 . . . . 0.85 109.683 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -53.42 -21.74 6.52 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.481 0.919 . . . . 5.23 113.481 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.72 -62.1 1.57 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.339 0.59 . . . . 0.75 109.979 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.15 84.69 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.588 -0.733 . . . . 1.34 110.439 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.4 ' CD ' ' HB3' ' B' ' 49' ' ' PRO . 6.8 mt-30 -63.46 -29.24 70.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.251 -0.886 . . . . 1.04 112.093 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -82.45 -21.26 35.7 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.921 -0.77 . . . . 3.01 108.921 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tp -81.99 -40.48 22.09 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.263 -0.881 . . . . 1.26 109.785 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.55 -4.31 58.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.588 -0.278 . . . . 1.29 111.05 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.505 0 CA-C-O 119.439 -0.645 . . . . 1.6 114.023 -179.714 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo . . . . . 0 N--CA 1.451 -1.01 0 CA-C-O 121.433 0.514 . . . . 2.2 112.74 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.576 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 48.4 t -116.36 175.75 2.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 107.211 -1.403 . . . . 1.47 107.211 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.2 p -133.35 163.07 30.16 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.356 -0.609 . . . . 1.36 109.356 -178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.454 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -67.76 -17.08 64.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.388 -0.597 . . . . 1.24 109.388 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -76.49 -38.65 54.95 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.799 -0.637 . . . . 0.82 109.746 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.91 -40.95 95.06 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 122.489 1.138 . . . . 1.86 108.099 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.2 t -66.88 -45.96 86.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 113.259 -1.791 . . . . 1.31 110.525 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.43 -32.9 71.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.227 -0.897 . . . . 1.25 110.106 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -75.89 -46.82 28.08 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.643 -0.708 . . . . 2.41 109.783 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.465 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 2.2 t80 -62.09 -33.32 74.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.463 -0.79 . . . . 2.57 110.997 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -89.16 -19.98 24.81 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.811 -1.086 . . . . 1.32 111.179 -177.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.32 45.89 22.76 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.448 -1.061 . . . . 0.72 110.448 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.423 HG23 ' HB2' ' A' ' 13' ' ' ALA . 34.8 m -137.64 -167.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 123.354 0.661 . . . . 1.26 109.813 -178.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -102.11 156.93 17.24 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.308 -0.627 . . . . 1.03 109.308 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.454 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.4 p90 -56.17 -43.55 78.46 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.122 -0.631 . . . . 2.26 110.882 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 11.7 tp60 -60.67 -26.87 67.41 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 110.344 -0.243 . . . . 2.69 110.344 176.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.2 m -65.6 -48.22 73.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.588 -0.893 . . . . 1.18 108.588 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.588 ' O ' HG22 ' A' ' 24' ' ' VAL . 69.7 t -59.83 -54.57 32.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.495 -1.23 . . . . 1.28 110.929 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.8 t -61.28 -23.32 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.767 0.318 . . . . 1.22 110.65 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 45.0 ttm-85 -79.78 -24.23 41.64 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.481 -0.563 . . . . 3.12 109.481 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.1 t -85.99 -37.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.177 0.513 . . . . 1.33 110.362 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 20' ' ' VAL . 36.9 t -71.08 -49.12 51.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.408 -0.815 . . . . 1.37 112.62 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -103.85 -42.09 5.7 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 116.014 1.857 . . . . 1.24 116.014 -175.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -130.83 64.76 1.56 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.766 -0.774 . . . . 5.01 112.741 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 116.93 7.44 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.721 0.772 . . . . 3.09 111.045 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 t -164.51 -95.13 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.064 -1.425 . . . . 2.08 109.719 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -65.21 53.89 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.982 0.913 . . . . 2.33 112.047 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.9 t -137.96 120.3 18.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.812 -0.81 . . . . 1.54 108.812 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.0 m -54.5 135.23 46.06 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.417 -0.81 . . . . 1.42 110.902 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -53.77 -37.79 63.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.973 0.416 . . . . 1.68 111.269 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -57.66 -41.33 81.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.743 -0.662 . . . . 3.58 111.789 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.483 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -84.79 -40.43 17.22 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.392 -0.367 . . . . 1.56 110.808 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -52.57 -52.72 53.68 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 122.807 0.443 . . . . 4.14 111.898 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 21.5 mt-10 -72.6 -16.47 61.73 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.424 -0.807 . . . . 1.72 111.054 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -86.3 -29.4 23.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.258 0.551 . . . . 1.95 110.208 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.55 HG13 ' HA ' ' A' ' 20' ' ' VAL . 79.8 t -80.28 -39.54 19.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 109.358 -0.608 . . . . 1.27 109.358 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.6 -31.51 72.7 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.552 -0.749 . . . . 1.7 109.439 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -73.81 -34.74 64.73 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.167 -0.924 . . . . 1.38 109.69 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.707 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -61.75 -44.79 96.22 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.076 -0.511 . . . . 1.24 110.535 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.5 mtt -55.9 -32.63 63.92 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.683 -0.69 . . . . 1.29 112.209 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.97 -28.2 49.36 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.472 0.653 . . . . 1.33 110.56 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 24.4 mm-40 -68.79 -59.45 3.08 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.629 -1.169 . . . . 1.55 112.368 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -90.27 -0.73 57.76 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.898 -1.046 . . . . 2.37 112.018 -178.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.463 ' O ' HD11 ' A' ' 48' ' ' ILE . 8.2 m120 63.12 66.58 0.72 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.238 0.542 . . . . 2.34 111.36 178.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.576 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.0 t80 -82.44 120.56 25.61 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.051 -0.522 . . . . 2.17 111.608 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.463 HD11 ' O ' ' A' ' 46' ' ' ASN . 3.9 mp -114.46 112.84 45.84 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 107.238 -1.393 . . . . 1.99 107.238 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.26 122.19 11.27 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.342 2.028 . . . . 0.78 112.577 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -67.91 101.12 1.05 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.846 -0.615 . . . . 0.69 111.509 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.496 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 27.0 mmt180 -63.69 -23.47 67.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.803 -0.635 . . . . 4.93 111.321 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -38.63 65.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.017 0.437 . . . . 0.7 110.153 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' HB1' HD11 ' B' ' 56' ' ' LEU . . . -73.84 -32.2 63.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.53 -0.915 . . . . 1.2 108.53 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -64.37 -35.97 82.61 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.635 -1.166 . . . . 1.82 109.599 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 28.4 mt-30 -73.51 -22.17 60.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.529 . . . . 3.08 109.767 178.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.479 HD22 HD23 ' B' ' 56' ' ' LEU . 6.9 tp -80.7 -52.9 7.02 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.699 -0.682 . . . . 1.24 110.345 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.67 -14.58 62.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.448 -0.796 . . . . 1.23 109.657 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.988 0 N-CA-C 109.985 -1.246 . . . . 1.86 109.985 178.167 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo . . . . . 0 N--CA 1.46 -0.45 0 CA-C-O 121.314 0.464 . . . . 2.12 111.128 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.687 HG21 ' O ' ' B' ' 45' ' ' LEU . 39.3 t -88.67 160.16 2.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.814 -0.63 . . . . 1.33 109.773 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 69.9 p -136.74 161.88 34.73 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 119.362 -0.351 . . . . 1.29 110.642 -178.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.444 ' HG ' HG13 ' B' ' 20' ' ' VAL . 1.7 tt -49.51 -30.97 9.23 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 123.867 0.729 . . . . 1.29 111.463 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -69.2 -35.84 76.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.87 0.367 . . . . 2.01 110.482 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.75 -39.1 87.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.086 -0.709 . . . . 1.45 109.086 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.66 -43.89 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 115.364 -0.834 . . . . 1.22 110.463 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.8 -51.13 70.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 1.12 111.194 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -59.85 -43.88 94.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.168 -0.924 . . . . 2.46 112.813 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.95 -54.02 31.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.1 0.476 . . . . 2.19 112.227 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.416 ' CB ' ' HG3' ' B' ' 37' ' ' LYS . . . -64.01 -25.19 68.01 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.659 -0.7 . . . . 1.26 112.844 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.6 49.62 6.52 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.005 -1.093 . . . . 1.09 111.363 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.32 174.74 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 N-CA-C 108.45 -0.945 . . . . 1.25 108.45 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.0 p -74.72 153.92 38.63 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 107.459 -1.311 . . . . 1.31 107.459 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -16.08 63.79 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 121.147 -0.221 . . . . 2.42 110.964 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -33.03 22.64 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.28 -1.008 . . . . 1.44 108.28 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 39.0 m -53.78 -34.7 59.89 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.73 -1.123 . . . . 1.22 110.783 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.444 HG13 ' HG ' ' B' ' 6' ' ' LEU . 2.8 t -66.28 -51.4 59.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.048 -0.978 . . . . 1.78 108.853 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.3 m -57.06 -46.53 82.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.979 -0.749 . . . . 1.13 108.979 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -49.99 -40.96 45.91 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.194 -0.912 . . . . 3.37 112.541 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.9 t -78.79 -31.51 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 120.993 0.425 . . . . 1.37 110.751 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.2 t -74.71 -28.95 22.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.274 0.559 . . . . 1.33 111.108 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -81.73 -85.02 0.11 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.78 0.8 . . . . 1.3 110.626 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -153.38 90.79 1.44 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.364 -1.289 . . . . 4.39 110.369 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.59 128.13 34.54 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.193 -0.669 . . . . 2.82 109.193 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.8 m -153.69 -26.08 0.14 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.577 0.703 . . . . 1.96 109.867 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -120.84 31.45 6.4 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.19 -0.67 . . . . 1.64 109.19 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -122.91 139.29 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 115.13 -0.941 . . . . 1.61 110.013 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.533 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 62.0 m -66.9 153.98 42.16 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.623 -1.171 . . . . 1.09 110.845 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -48.01 78.2 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.141 -0.482 . . . . 1.64 110.635 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -56.78 -54.41 46.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.176 0.512 . . . . 3.67 111.692 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.533 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -56.61 -38.58 72.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.873 -1.058 . . . . 1.21 111.722 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -68.44 -43.23 77.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.322 0.582 . . . . 4.13 109.845 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.42 -31.3 72.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.242 -0.89 . . . . 1.96 111.841 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.416 ' HG3' ' CB ' ' B' ' 13' ' ' ALA . 17.0 tppt? -66.61 -44.28 82.5 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.908 -0.587 . . . . 2.4 111.561 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.568 ' O ' ' HG3' ' B' ' 42' ' ' MET . 48.5 t -71.1 -38.47 71.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.371 -0.377 . . . . 1.22 111.337 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -67.39 -37.27 82.86 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.63 -0.507 . . . . 1.68 109.63 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.22 -46.76 63.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.866 -0.606 . . . . 1.3 110.649 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.57 ' O ' HD11 ' B' ' 45' ' ' LEU . . . -53.57 -26.72 22.75 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.667 -0.697 . . . . 1.29 112.495 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.568 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 37.4 mtt -68.61 -19.64 64.45 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.053 -0.521 . . . . 1.2 109.953 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.53 -55.31 3.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.896 -0.593 . . . . 1.34 112.033 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.55 -53.29 48.25 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.65 0.738 . . . . 1.58 111.497 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.687 ' O ' HG21 ' B' ' 4' ' ' VAL . 2.1 mt -77.36 -7.68 56.47 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.149 -1.387 . . . . 1.76 113.573 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.439 ' O ' HG12 ' B' ' 48' ' ' ILE . 3.4 t30 57.38 49.09 13.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.422 -0.584 . . . . 1.3 109.422 -177.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.594 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.0 t80 -55.83 125.34 20.91 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.726 -0.67 . . . . 2.36 109.82 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.439 HG12 ' O ' ' B' ' 46' ' ' ASN . 20.1 mm -131.08 98.67 18.63 Favored Pre-proline 0 N--CA 1.441 -0.88 0 N-CA-C 104.184 -2.525 . . . . 1.83 104.184 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -35.37 123.88 0.23 Allowed 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.863 3.042 . . . . 0.79 115.491 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.664 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 39.3 t-20 -65.02 75.88 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.413 -0.812 . . . . 0.85 109.777 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -50.59 -19.3 0.87 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.414 0.894 . . . . 5.23 113.414 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -75.67 -60.73 2.18 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 120.485 -0.486 . . . . 0.75 111.004 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.87 -25.16 63.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.101 -0.5 . . . . 1.34 110.097 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.664 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 30.9 mt-30 -65.85 -36.74 84.3 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.792 -0.64 . . . . 1.04 111.079 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.17 -27.56 57.0 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.424 0.631 . . . . 3.01 109.617 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.479 HD23 HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -72.19 -45.24 61.16 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.286 -0.87 . . . . 1.26 109.18 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.6 0.79 11.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.591 -0.731 . . . . 1.29 112.868 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.87 0 C-N-CA 120.674 -0.774 . . . . 1.6 111.87 179.738 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 CA-C-O 121.352 0.48 . . . . 2.2 111.292 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.485 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 5.6 t -111.87 173.71 2.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 115.025 -0.989 . . . . 1.47 108.983 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.432 ' O ' HG22 ' A' ' 9' ' ' VAL . 9.9 p -133.6 162.5 31.75 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.048 -0.723 . . . . 1.36 109.048 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -67.69 -14.82 63.27 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.223 -0.658 . . . . 1.24 109.223 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -76.36 -39.98 52.4 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.729 -0.669 . . . . 0.82 109.899 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.58 -38.49 90.31 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.123 -1.065 . . . . 1.86 108.123 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 5' ' ' THR . 34.2 t -67.38 -47.98 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 113.11 -1.859 . . . . 1.31 109.086 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.75 90.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.436 -0.802 . . . . 1.25 111.41 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.91 -46.61 71.08 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 120.802 0.334 . . . . 2.41 111.586 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 25.3 t80 -67.15 -27.45 67.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.096 0.474 . . . . 2.57 111.48 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.08 -19.39 24.4 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 121.161 0.505 . . . . 1.32 109.84 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.8 47.7 13.97 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.524 -1.03 . . . . 0.72 110.524 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.25 -171.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.862 -0.669 . . . . 1.26 109.855 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.1 m -100.25 154.83 18.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.459 -0.571 . . . . 1.03 109.459 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -54.35 -43.22 71.08 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.19 -0.604 . . . . 2.26 110.608 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -60.25 -29.8 69.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 110.025 -0.361 . . . . 2.69 110.025 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 23' ' ' VAL . 23.1 m -68.41 -44.82 74.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.425 -0.583 . . . . 1.18 109.425 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.664 ' O ' HG23 ' A' ' 24' ' ' VAL . 65.1 t -60.12 -51.14 76.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.978 -1.01 . . . . 1.28 110.17 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 t -60.52 -26.58 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 1.22 111.078 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mtm-85 -75.68 -26.81 57.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.923 -0.769 . . . . 3.12 108.923 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 19' ' ' THR . 95.9 t -84.12 -43.27 17.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.183 0.516 . . . . 1.33 109.976 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 20' ' ' VAL . 23.9 t -63.47 -47.87 89.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.376 -0.829 . . . . 1.37 113.145 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -106.49 -7.36 17.58 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.704 1.372 . . . . 1.24 114.704 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.528 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 25.3 mm-40 -135.44 -128.88 0.15 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.461 1.028 . . . . 5.01 110.013 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 26' ' ' GLN . . . 167.06 -39.07 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.742 1.277 . . . . 3.09 111.222 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 t -71.05 156.53 39.51 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.945 -0.57 . . . . 2.08 110.727 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.3 m170 65.52 23.12 11.83 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 121.867 0.842 . . . . 2.33 109.11 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 t -136.68 125.5 36.22 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 114.506 -1.224 . . . . 1.54 109.83 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.442 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 51.9 m -65.31 139.77 58.62 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.374 -0.83 . . . . 1.42 109.086 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.03 -43.58 77.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.123 -0.49 . . . . 1.68 111.637 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -57.11 -37.47 72.0 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.251 0.548 . . . . 3.58 110.893 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.592 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -78.25 -44.14 26.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.572 -0.74 . . . . 1.56 111.473 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -53.62 -49.71 67.25 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.579 0.585 . . . . 4.14 112.579 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 27.4 mt-10 -68.86 -23.14 64.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.366 -0.379 . . . . 1.72 111.853 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' ' 34' ' ' THR . 8.9 ptpt -86.6 -21.62 26.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.956 0.408 . . . . 1.95 110.889 -178.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.45 HG11 HG23 ' A' ' 20' ' ' VAL . 76.7 t -83.64 -40.12 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.536 -0.913 . . . . 1.27 108.536 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.06 -32.79 72.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.849 0.833 . . . . 1.7 109.404 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -69.79 -36.98 76.15 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.394 -1.275 . . . . 1.38 110.875 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.22 90.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.04 -0.527 . . . . 1.24 110.364 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.1 mtt -67.54 -24.2 65.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.046 -0.525 . . . . 1.29 111.561 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.56 33.25 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.798 0.809 . . . . 1.33 109.045 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 16.1 mm-40 -70.59 -58.98 3.11 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.308 -1.314 . . . . 1.55 111.479 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -81.64 -9.73 59.59 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.799 -1.546 . . . . 2.37 113.123 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.508 ' O ' HD11 ' A' ' 48' ' ' ILE . 10.5 m120 64.04 57.09 1.33 Allowed 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.625 -0.509 . . . . 2.34 109.625 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.485 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.6 t80 -78.53 125.61 29.6 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.782 -0.644 . . . . 2.17 111.398 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.508 HD11 ' O ' ' A' ' 46' ' ' ASN . 3.5 mp -114.84 115.59 43.54 Favored Pre-proline 0 C--N 1.316 -0.883 0 N-CA-C 107.057 -1.46 . . . . 1.99 107.057 176.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.03 125.98 20.87 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.637 2.225 . . . . 0.78 111.509 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -73.36 96.58 2.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.771 0.32 . . . . 0.69 111.666 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -60.25 -18.16 46.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 4.93 110.924 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -77.79 -48.43 16.57 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.603 -0.518 . . . . 0.7 109.603 -179.553 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HB3' ' CD1' ' B' ' 56' ' ' LEU . . . -70.1 -35.63 74.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.587 -0.894 . . . . 1.2 108.587 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -58.65 -34.92 71.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.774 -1.103 . . . . 1.82 110.12 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 52' ' ' CYS . 1.5 pt20 -80.42 -29.73 37.65 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.753 -0.462 . . . . 3.08 109.753 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.425 HD22 ' CD2' ' B' ' 56' ' ' LEU . 9.8 tp -65.54 -51.9 56.42 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.656 0.265 . . . . 1.24 110.945 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.4 -17.95 55.7 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.396 0.617 . . . . 1.23 110.303 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.073 0 CA-C-N 115.075 -0.966 . . . . 1.86 111.393 -179.86 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo . . . . . 0 N--CA 1.461 -0.414 0 N-CA-C 110.379 -0.662 . . . . 2.12 110.379 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.59 HG21 ' O ' ' B' ' 45' ' ' LEU . 85.1 t -81.65 161.97 3.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.825 -0.805 . . . . 1.33 108.825 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.511 ' N ' HG12 ' B' ' 4' ' ' VAL . 15.1 p -135.36 163.71 29.4 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 121.199 -0.2 . . . . 1.29 111.182 -178.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.482 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 0.5 OUTLIER -53.3 -31.68 45.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.73 0.644 . . . . 1.29 110.207 175.718 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -69.7 -34.66 74.22 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 116.424 -0.353 . . . . 2.01 111.296 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.32 -36.67 81.95 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 108.992 -0.744 . . . . 1.45 108.992 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.514 ' HA ' HD22 ' B' ' 45' ' ' LEU . 31.4 t -67.21 -46.19 84.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.511 -0.768 . . . . 1.22 111.172 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.1 -51.79 66.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.702 -0.681 . . . . 1.12 111.125 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.65 -41.04 80.64 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.273 -0.876 . . . . 2.46 112.283 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -72.55 -45.92 56.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.525 0.565 . . . . 2.19 112.525 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.498 ' HB2' ' HG3' ' B' ' 37' ' ' LYS . . . -69.48 -25.18 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.286 0.476 . . . . 1.26 112.286 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.43 45.82 6.75 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.035 -1.078 . . . . 1.09 111.702 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.76 171.08 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 N-CA-C 108.962 -0.755 . . . . 1.25 108.962 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.449 ' O ' ' HB ' ' B' ' 19' ' ' THR . 69.8 m -75.54 153.75 37.25 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 119.605 -0.838 . . . . 1.31 109.071 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.431 ' HD1' ' CD2' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -56.99 -41.89 79.26 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 123.363 0.415 . . . . 2.42 110.863 -178.579 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -29.23 69.33 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.666 0.27 . . . . 1.44 111.626 178.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.499 ' O ' HG23 ' B' ' 23' ' ' VAL . 95.5 m -62.07 -37.82 86.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.739 . . . . 1.22 109.037 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.482 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 4.4 t -67.55 -45.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.251 -0.886 . . . . 1.78 109.598 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 7.9 t -55.05 -51.62 65.74 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.434 -1.321 . . . . 1.13 107.434 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -50.62 -38.19 44.56 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.141 -1.39 . . . . 3.37 112.847 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 19' ' ' THR . 96.1 t -77.39 -39.95 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.497 -0.186 . . . . 1.37 110.497 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.4 -38.74 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 121.302 0.572 . . . . 1.33 110.504 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.13 -10.55 59.85 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.908 -0.587 . . . . 1.3 111.033 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 58.47 39.02 25.49 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.687 0.756 . . . . 4.39 109.403 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.77 171.69 14.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.002 -1.454 . . . . 2.82 112.027 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.8 t -86.29 179.26 6.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.492 -0.776 . . . . 1.96 110.546 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 38.0 m170 66.38 28.59 9.66 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.464 -0.789 . . . . 1.64 110.64 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -121.56 121.39 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 115.704 -0.68 . . . . 1.61 110.619 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 68.0 m -70.68 152.79 43.47 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 116.366 -0.379 . . . . 1.09 110.147 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.21 -51.29 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 1.64 111.916 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -52.16 -59.3 4.54 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.339 0.399 . . . . 3.67 111.138 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.417 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -54.89 -37.53 66.41 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.757 -0.656 . . . . 1.21 111.352 179.322 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' B' ' 35' ' ' ARG . 18.5 ttm-85 -65.45 -52.33 53.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.532 0.682 . . . . 4.13 111.126 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.58 -26.39 63.5 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.277 -0.874 . . . . 1.96 112.099 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' B' ' 13' ' ' ALA . 3.1 tppt? -67.26 -46.33 74.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.572 -0.529 . . . . 2.4 109.572 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.446 ' CG1' HG12 ' B' ' 20' ' ' VAL . 92.3 t -65.9 -37.5 80.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.522 -0.763 . . . . 1.22 111.163 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -69.02 -31.63 70.57 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.018 0.437 . . . . 1.68 110.015 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.16 -49.11 65.91 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.158 0.504 . . . . 1.3 109.82 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.73 -29.83 41.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.958 -1.019 . . . . 1.29 111.24 178.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.443 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 67.3 mtt -61.38 -23.81 66.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.494 . . . . 1.2 110.695 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.68 -52.28 5.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 1.34 111.41 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.75 -39.62 81.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.716 0.77 . . . . 1.58 110.776 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.59 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -80.71 -18.52 47.58 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.925 -1.034 . . . . 1.76 112.18 -179.443 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 62.77 39.0 11.33 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.081 -1.452 . . . . 1.3 107.081 -176.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.573 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.9 t80 -56.99 124.48 18.84 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 114.672 -1.149 . . . . 2.36 110.755 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 91.4 mt -133.52 102.04 12.9 Favored Pre-proline 0 N--CA 1.434 -1.23 0 N-CA-C 103.358 -2.831 . . . . 1.83 103.358 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.446 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.6 OUTLIER -28.96 123.36 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 124.734 3.623 . . . . 0.79 115.573 -175.231 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.492 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 54.6 t-20 -62.5 77.8 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 114.617 -1.174 . . . . 0.85 110.683 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -50.39 -27.53 6.51 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.62 -0.718 . . . . 5.23 112.827 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.39 -62.75 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 0.75 110.785 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.91 78.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.371 -0.831 . . . . 1.34 110.889 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 33.4 mt-30 -62.21 -28.8 69.94 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.819 -0.628 . . . . 1.04 112.042 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -83.09 -27.46 30.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.616 -0.513 . . . . 3.01 109.616 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.425 ' CD2' HD22 ' A' ' 56' ' ' LEU . 4.4 mp -70.53 -42.77 70.78 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.891 -1.05 . . . . 1.26 109.688 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.86 4.8 4.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.828 -1.078 . . . . 1.29 113.5 -177.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.453 0 C-N-CA 119.524 -1.322 . . . . 1.6 114.624 178.161 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 N--CA 1.451 -1.018 0 N-CA-C 110.439 -0.639 . . . . 2.2 110.439 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.614 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 26.1 t -100.35 168.9 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 107.271 -1.381 . . . . 1.47 107.271 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.0 p -135.09 165.17 25.99 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.344 -0.543 . . . . 1.36 109.765 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.7 pt? -63.32 -17.1 62.18 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.617 -0.72 . . . . 1.24 110.768 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -78.33 -38.53 41.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.568 -0.742 . . . . 0.82 110.397 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -65.37 -34.83 79.23 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 122.099 0.952 . . . . 1.86 108.66 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.541 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 38.2 t -68.32 -44.44 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.798 -1.546 . . . . 1.31 109.779 178.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -64.04 -40.14 95.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.27 -0.877 . . . . 1.25 110.699 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.94 -51.9 54.5 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.969 -0.293 . . . . 2.41 110.712 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.505 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 27.0 t80 -65.04 -24.77 67.57 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.205 0.446 . . . . 2.57 112.205 -177.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.541 ' HB1' ' O ' ' A' ' 9' ' ' VAL . . . -94.76 -15.66 23.66 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 120.761 -0.376 . . . . 1.32 111.057 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.76 35.65 31.18 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.798 -0.921 . . . . 0.72 110.798 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 35.0 m -131.94 -172.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 114.867 -0.666 . . . . 1.26 110.779 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 m -102.5 152.59 20.96 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.393 -0.821 . . . . 1.03 109.547 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.423 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 34.7 p90 -53.56 -39.57 64.88 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.363 -0.535 . . . . 2.26 110.671 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.85 -34.04 71.12 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.973 0.416 . . . . 2.69 110.194 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -67.96 -43.68 78.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.89 -0.595 . . . . 1.18 109.553 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.43 HG22 HG11 ' A' ' 38' ' ' VAL . 68.5 t -58.63 -51.05 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.096 -0.956 . . . . 1.28 110.926 177.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 m -64.78 -27.32 68.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.128 -0.487 . . . . 1.22 110.863 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.35 -33.19 73.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.747 -0.835 . . . . 3.12 108.747 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.5 t -82.72 -43.92 18.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.508 -0.769 . . . . 1.33 110.684 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.31 -44.13 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 115.557 -0.747 . . . . 1.37 111.874 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -96.47 -25.21 15.76 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.909 1.078 . . . . 1.24 113.909 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.479 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 6.2 mt-30 -129.38 -120.48 0.23 Allowed 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.853 -0.425 . . . . 5.01 109.853 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 26' ' ' GLN . . . 156.95 -33.43 0.0 OUTLIER 'General case' 0 C--O 1.234 0.25 0 O-C-N 125.104 1.502 . . . . 3.09 109.04 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 4.5 t -68.38 147.84 51.53 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.841 -1.072 . . . . 2.08 109.161 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.477 ' HB2' ' O ' ' A' ' 28' ' ' SER . 50.8 m170 71.79 18.65 5.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.533 0.521 . . . . 2.33 110.677 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.0 t -131.06 130.76 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 109.267 -0.642 . . . . 1.54 109.267 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.474 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 5.4 m -53.56 135.79 39.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.638 0.732 . . . . 1.42 110.574 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.06 -6.67 23.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.292 -0.867 . . . . 1.68 111.256 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -93.65 -47.3 6.87 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 107.683 -1.228 . . . . 3.58 107.683 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -70.37 -33.9 71.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.82 -1.082 . . . . 1.56 111.973 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -52.42 -49.21 64.99 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.286 0.565 . . . . 4.14 111.275 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -18.35 60.84 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.518 -0.764 . . . . 1.72 111.676 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -84.08 -29.23 26.98 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.429 -0.582 . . . . 1.95 109.429 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 34' ' ' THR . 88.8 t -77.62 -42.78 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 N-CA-C 108.496 -0.927 . . . . 1.27 108.496 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.72 -30.9 71.77 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.356 -0.979 . . . . 1.7 108.356 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -70.96 -38.73 72.82 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.989 -1.005 . . . . 1.38 109.954 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.56 -36.27 83.24 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.812 -0.631 . . . . 1.24 110.124 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.502 ' SD ' ' HD2' ' A' ' 47' ' ' TYR . 28.5 mtm -67.31 -23.81 65.68 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.596 -0.729 . . . . 1.29 112.226 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.5 -34.04 21.67 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.601 0.715 . . . . 1.33 109.183 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 52.3 mm-40 -65.54 -56.21 13.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.608 -1.178 . . . . 1.55 111.266 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.457 HD12 ' CB ' ' A' ' 12' ' ' TYR . 1.2 mt -81.93 -13.37 57.6 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 113.515 -1.675 . . . . 2.37 112.607 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.412 ' O ' HD11 ' A' ' 48' ' ' ILE . 24.1 m120 67.14 55.03 0.71 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.239 0.542 . . . . 2.34 109.819 -179.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.614 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.8 t80 -70.68 124.59 24.63 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.738 -0.664 . . . . 2.17 110.577 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.412 HD11 ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -110.28 117.47 51.34 Favored Pre-proline 0 N--CA 1.444 -0.761 0 N-CA-C 109.583 -0.525 . . . . 1.99 109.583 177.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.65 119.47 6.67 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.488 2.125 . . . . 0.78 111.745 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -80.73 101.39 9.27 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.369 0.604 . . . . 0.69 111.624 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -41.54 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.846 -1.07 . . . . 4.93 111.313 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -41.84 98.65 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 110.096 -0.335 . . . . 0.7 110.096 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.99 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.582 -0.736 . . . . 1.2 110.077 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -58.4 -34.69 71.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.539 -0.755 . . . . 1.82 110.773 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -78.08 -27.92 48.66 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.282 -0.417 . . . . 3.08 109.903 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 tp -74.35 -53.58 9.37 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.12 0.486 . . . . 1.24 110.349 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.32 -15.12 61.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.295 0.85 . . . . 1.23 113.295 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.051 0 C-N-CA 119.802 -1.19 . . . . 1.86 112.705 -178.858 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 C--O 1.236 0.394 0 CA-C-O 120.991 0.33 . . . . 2.12 111.35 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.673 HG22 ' O ' ' B' ' 45' ' ' LEU . 61.4 t -87.39 164.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.421 -0.808 . . . . 1.33 110.929 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.416 ' N ' HG12 ' B' ' 4' ' ' VAL . 18.9 p -133.61 160.42 37.54 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.475 -0.784 . . . . 1.29 109.74 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.483 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 1.7 tt -55.51 -26.09 40.87 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.279 0.561 . . . . 1.29 110.732 177.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.24 -36.02 76.75 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.486 -0.779 . . . . 2.01 110.715 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -68.2 -34.88 77.08 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.785 -0.82 . . . . 1.45 108.785 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.26 -44.45 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 114.291 -1.322 . . . . 1.22 109.768 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.98 75.88 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.716 -0.675 . . . . 1.12 111.164 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.96 -49.64 75.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.833 -1.076 . . . . 2.46 112.539 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.417 ' CB ' HD22 ' B' ' 45' ' ' LEU . 48.8 t80 -63.53 -46.62 85.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.01 0.374 . . . . 2.19 112.01 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.64 -23.08 64.39 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.938 0.347 . . . . 1.26 111.938 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.2 45.2 10.33 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 119.866 -1.159 . . . . 1.09 111.698 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.1 m -135.71 171.61 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 N-CA-C 107.81 -1.181 . . . . 1.25 107.81 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.5 m -75.18 152.41 38.42 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.112 -0.699 . . . . 1.31 109.112 177.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -41.93 79.19 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.09 -0.337 . . . . 2.42 110.09 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -56.13 -35.51 67.2 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.051 0.453 . . . . 1.44 110.575 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.9 m -59.01 -39.43 81.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.337 -0.847 . . . . 1.22 110.343 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.483 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 3.4 t -67.75 -44.41 85.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.329 -0.85 . . . . 1.78 110.754 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 23.8 m -58.13 -44.38 87.76 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 107.326 -1.361 . . . . 1.13 107.326 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -55.0 -40.02 69.68 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 113.975 -1.466 . . . . 3.37 112.2 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.4 t -79.96 -35.37 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.297 0.57 . . . . 1.37 110.117 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.21 -29.39 45.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.524 -0.762 . . . . 1.33 110.409 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -99.19 -7.48 26.46 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.387 -0.824 . . . . 1.3 110.554 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 54.48 48.6 20.17 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.684 0.754 . . . . 4.39 108.982 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.63 -178.23 5.76 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.593 -1.185 . . . . 2.82 112.729 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 29.8 p -85.03 179.22 7.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 114.962 -1.017 . . . . 1.96 110.192 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' B' ' 28' ' ' SER . 54.4 m170 69.1 21.67 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.57 0.544 . . . . 1.64 111.386 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.3 t -124.65 132.17 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.86 0.362 . . . . 1.61 110.193 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 62.4 m -72.69 153.05 41.37 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.071 -0.513 . . . . 1.09 109.784 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.62 55.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.393 0.516 . . . . 1.64 112.393 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.562 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 32.9 ttmt -57.34 -58.25 9.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.571 -0.74 . . . . 3.67 111.422 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.458 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -52.45 -33.89 46.27 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.85 0.357 . . . . 1.21 111.493 179.581 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -71.99 -46.13 58.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.57 0.7 . . . . 4.13 109.608 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.15 -35.58 79.21 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.055 -0.975 . . . . 1.96 111.694 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 52.8 mtpt -63.72 -41.93 98.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.828 0.347 . . . . 2.4 110.577 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 34' ' ' THR . 58.9 t -64.91 -39.64 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.381 -0.372 . . . . 1.22 111.575 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -66.62 -34.4 77.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.978 0.418 . . . . 1.68 110.056 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -47.03 72.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.121 -0.49 . . . . 1.3 110.482 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.03 -27.99 48.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.451 -0.795 . . . . 1.29 111.339 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 55.1 mtt -61.85 -20.91 64.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.901 -0.591 . . . . 1.2 109.872 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.75 -48.79 6.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.799 -0.637 . . . . 1.34 111.571 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -53.7 -52.82 58.84 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 122.135 0.969 . . . . 1.58 111.069 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.673 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -74.17 -17.47 60.91 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.198 -1.365 . . . . 1.76 111.56 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.509 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.5 OUTLIER 63.78 47.14 3.7 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.283 -1.377 . . . . 1.3 107.283 -174.607 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.599 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.5 t80 -52.69 119.35 4.46 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.158 -0.928 . . . . 2.36 111.422 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.509 HG12 ' O ' ' B' ' 46' ' ' ASN . 22.4 mm -129.18 103.54 18.32 Favored Pre-proline 0 N--CA 1.442 -0.874 0 N-CA-C 104.074 -2.565 . . . . 1.83 104.074 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -36.45 127.03 0.42 Allowed 'Trans proline' 0 N--CA 1.476 0.47 0 C-N-CA 123.736 2.957 . . . . 0.79 114.859 -176.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -63.63 85.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.028 -0.987 . . . . 0.85 110.772 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 16.3 mmt85 -47.89 -29.35 3.24 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.034 1.124 . . . . 5.23 114.034 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 2.6 m -74.24 -55.77 5.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.278 -0.569 . . . . 0.75 110.683 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.17 74.34 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.653 -0.703 . . . . 1.34 110.394 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -66.76 -34.0 76.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.801 -0.636 . . . . 1.04 111.189 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -75.68 -24.82 56.32 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.093 -1.077 . . . . 3.01 108.093 -179.396 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tp -82.77 -43.13 17.11 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.428 -1.26 . . . . 1.26 110.534 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.88 -8.4 58.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.34 0.496 . . . . 1.29 112.34 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 C-N-CA 120.389 -0.91 . . . . 1.6 112.87 -177.74 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 N--CA 1.459 -0.544 0 N-CA-C 110.706 -0.536 . . . . 2.2 110.706 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.509 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 68.5 t -122.82 132.64 70.93 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 N-CA-C 108.869 -0.789 . . . . 1.47 108.869 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.2 p -95.86 171.73 8.46 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 113.497 0.925 . . . . 1.36 113.497 -178.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.486 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.2 pt? -66.5 -19.07 65.7 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 114.201 -1.363 . . . . 1.24 109.822 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -76.46 -38.94 54.62 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 115.781 -0.645 . . . . 0.82 109.978 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -64.94 -41.12 95.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.372 -1.344 . . . . 1.86 107.372 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 5' ' ' THR . 42.7 t -62.32 -43.89 98.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 113.466 -1.697 . . . . 1.31 110.421 177.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.84 -33.29 75.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.609 -0.723 . . . . 1.25 110.667 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.63 -53.56 32.73 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.776 -0.647 . . . . 2.41 110.602 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.536 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 39.7 t80 -68.82 -25.43 64.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.508 0.671 . . . . 2.57 111.494 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 9' ' ' VAL . . . -86.26 -17.53 34.46 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.219 -0.901 . . . . 1.32 109.198 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.99 45.21 93.02 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.681 -1.368 . . . . 0.72 109.681 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 m -134.04 -167.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 113.955 -1.122 . . . . 1.26 109.102 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 m -102.19 150.74 22.97 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.049 -1.093 . . . . 1.03 108.049 176.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.486 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.2 p90 -55.58 -38.87 69.94 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 123.619 0.574 . . . . 2.26 109.651 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -29.92 71.11 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.051 -0.259 . . . . 2.69 110.724 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.491 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 98.6 m -67.93 -40.1 83.37 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.304 -0.628 . . . . 1.18 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.672 ' O ' HG22 ' A' ' 24' ' ' VAL . 39.9 t -59.22 -51.41 72.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.061 -0.972 . . . . 1.28 110.289 177.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.8 t -61.56 -27.42 68.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.163 -0.926 . . . . 1.22 110.311 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.491 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 12.5 mtm180 -69.8 -35.69 75.06 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.305 -0.628 . . . . 3.12 109.305 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.3 t -78.5 -43.38 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.445 0.64 . . . . 1.33 110.806 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 20' ' ' VAL . 41.2 t -61.82 -48.04 90.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.329 -0.85 . . . . 1.37 112.547 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -97.7 -17.27 19.53 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 114.991 1.478 . . . . 1.24 114.991 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.673 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 88.0 mt-30 -130.7 -117.43 0.23 Allowed 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 121.409 -0.807 . . . . 5.01 111.948 -177.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.673 ' HB1' ' O ' ' A' ' 26' ' ' GLN . . . 152.31 -40.71 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.327 0 O-C-N 125.078 1.486 . . . . 3.09 109.333 -176.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 5.8 t -68.28 150.71 47.92 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.171 -0.677 . . . . 2.08 109.171 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 28' ' ' SER . 65.9 m170 70.52 16.19 7.04 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.574 0.702 . . . . 2.33 109.288 -178.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.5 t -134.26 123.35 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 CA-C-N 114.786 -1.097 . . . . 1.54 108.408 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -71.79 144.24 49.24 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.142 -0.688 . . . . 1.42 109.142 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.19 -35.76 49.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.796 -0.638 . . . . 1.68 112.179 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.26 -47.59 72.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.654 0.264 . . . . 3.58 111.63 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -77.2 -42.78 36.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.033 0.383 . . . . 1.56 112.033 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -51.2 -51.73 51.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.635 0.606 . . . . 4.14 112.635 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -72.6 -17.68 61.66 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.252 -0.885 . . . . 1.72 111.557 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -86.28 -29.84 22.76 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.152 -0.477 . . . . 1.95 110.035 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 34' ' ' THR . 93.0 t -79.69 -41.02 21.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.999 0.428 . . . . 1.27 109.861 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -62.9 -27.44 69.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.541 0.686 . . . . 1.7 109.369 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -76.2 -34.16 59.28 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.018 -0.992 . . . . 1.38 110.036 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.4 -43.64 89.96 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.35 0.595 . . . . 1.24 110.791 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.6 mtt -59.07 -27.92 65.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.982 -1.008 . . . . 1.29 112.804 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.41 -29.64 30.65 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.751 0.786 . . . . 1.33 110.043 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 22.2 mm-40 -70.49 -60.48 2.24 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.657 -1.156 . . . . 1.55 112.241 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.505 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -80.06 -14.17 58.74 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 114.3 -1.318 . . . . 2.37 111.773 -177.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 69.99 68.92 0.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.982 0.801 . . . . 2.34 109.793 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.509 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.6 t80 -80.28 126.66 31.42 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.988 -1.005 . . . . 2.17 110.242 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.81 106.24 55.42 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.601 -0.889 . . . . 1.99 108.601 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.45 118.74 5.52 Favored 'Trans proline' 0 N--CA 1.475 0.431 0 C-N-CA 122.689 2.259 . . . . 0.78 111.957 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -77.74 97.56 5.22 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.105 0.478 . . . . 0.69 110.832 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -62.32 -28.97 70.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.596 -0.729 . . . . 4.93 112.002 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.77 -34.29 66.88 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.54 -0.541 . . . . 0.7 109.54 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.74 -41.03 72.35 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.173 -0.677 . . . . 1.2 109.173 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -58.53 -43.01 89.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.36 -1.291 . . . . 1.82 109.243 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -67.81 -34.56 76.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.097 -0.956 . . . . 3.08 111.889 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 tp -67.71 -43.83 79.13 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.639 -0.255 . . . . 1.24 110.371 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.83 -19.0 58.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.966 0.412 . . . . 1.23 111.098 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.885 0 C-N-CA 120.699 -0.762 . . . . 1.86 112.062 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo . . . . . 0 N--CA 1.459 -0.545 0 N-CA-C 110.966 -0.436 . . . . 2.12 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.656 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 74.0 t -63.73 160.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.243 -0.651 . . . . 1.33 109.243 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.484 ' N ' HG11 ' B' ' 4' ' ' VAL . 32.6 p -135.82 163.19 30.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.922 -0.486 . . . . 1.29 110.595 -177.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.438 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 0.5 OUTLIER -51.28 -32.37 24.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.236 -0.893 . . . . 1.29 110.627 177.266 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -66.63 -37.73 85.45 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.251 -0.431 . . . . 2.01 111.131 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.65 -41.71 87.82 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.448 -0.575 . . . . 1.45 109.448 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.445 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 41.7 t -64.66 -45.35 95.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.282 -0.872 . . . . 1.22 110.355 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.71 -52.86 61.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.245 -0.889 . . . . 1.12 111.461 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -56.01 -49.37 73.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.469 -0.787 . . . . 2.46 111.695 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -64.57 -49.89 69.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.713 -0.676 . . . . 2.19 111.881 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -27.56 69.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 112.015 0.376 . . . . 1.26 112.015 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.23 44.12 7.69 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.256 -0.973 . . . . 1.09 111.404 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.9 m -133.99 171.86 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 N-CA-C 108.179 -1.045 . . . . 1.25 108.179 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.446 ' O ' ' HB ' ' B' ' 19' ' ' THR . 68.9 m -74.74 155.37 37.75 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 107.618 -1.253 . . . . 1.31 107.618 175.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.55 -43.05 99.57 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 110.091 -0.337 . . . . 2.42 110.091 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' B' ' 22' ' ' ARG . 9.9 tp60 -55.33 -38.63 68.99 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.269 0.557 . . . . 1.44 110.455 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' B' ' 16' ' ' SER . 23.5 m -53.44 -40.23 65.02 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.819 -1.082 . . . . 1.22 111.01 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.438 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 16.7 t -67.48 -45.56 85.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.279 -0.873 . . . . 1.78 110.665 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 38.5 m -52.13 -46.8 65.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.848 -1.167 . . . . 1.13 107.848 176.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' B' ' 18' ' ' GLN . 19.1 mtp85 -56.43 -41.2 76.0 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 113.796 -1.547 . . . . 3.37 112.061 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -74.5 -38.55 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.945 0.35 . . . . 1.37 111.945 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.95 -31.68 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-O 121.397 0.618 . . . . 1.33 111.182 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -97.15 -0.51 46.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.738 -0.665 . . . . 1.3 111.177 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 54.64 44.56 28.44 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.685 0.755 . . . . 4.39 109.963 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.55 173.81 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.855 -1.066 . . . . 2.82 110.281 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -89.99 175.21 7.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.915 0.388 . . . . 1.96 110.501 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . 0.406 ' HB2' ' NH2' ' B' ' 22' ' ' ARG . 28.4 m170 71.38 34.9 1.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.578 -0.737 . . . . 1.64 110.899 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -130.28 130.61 65.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.496 -0.557 . . . . 1.61 109.496 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.444 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 35.5 m -71.76 152.22 42.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.517 -0.549 . . . . 1.09 109.517 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.68 -55.67 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.649 0.611 . . . . 1.64 112.649 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -54.62 -52.08 63.35 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.079 0.466 . . . . 3.67 110.244 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -55.72 -34.63 65.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.64 -0.709 . . . . 1.21 112.142 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -67.93 -47.12 69.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.341 0.591 . . . . 4.13 110.273 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.98 -33.68 75.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.983 -1.008 . . . . 1.96 111.658 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -65.17 -35.38 80.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.834 0.35 . . . . 2.4 110.112 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 34' ' ' THR . 59.7 t -71.61 -41.87 71.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.086 -0.506 . . . . 1.22 110.578 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.39 -28.49 67.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.878 -0.416 . . . . 1.68 109.878 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.77 -44.61 69.82 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.609 0.719 . . . . 1.3 109.325 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.09 -31.53 65.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.444 -1.253 . . . . 1.29 110.733 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 63.0 mtt -62.85 -20.6 65.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.479 -0.782 . . . . 1.2 110.164 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.96 -48.0 7.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.537 . . . . 1.34 110.879 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.43 -44.42 94.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.865 -0.607 . . . . 1.58 111.588 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.554 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -76.64 -19.08 58.18 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-N 116.42 -0.354 . . . . 1.76 111.129 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.572 ' O ' HG12 ' B' ' 48' ' ' ILE . 1.8 t30 62.75 46.13 5.4 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.8 -1.185 . . . . 1.3 107.8 -175.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.656 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.8 t80 -49.92 120.32 4.26 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 114.684 -1.143 . . . . 2.36 110.778 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.572 HG12 ' O ' ' B' ' 46' ' ' ASN . 39.4 mm -132.24 96.21 19.96 Favored Pre-proline 0 N--CA 1.441 -0.885 0 N-CA-C 104.376 -2.453 . . . . 1.83 104.376 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.493 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 10.5 Cg_exo -32.06 121.34 0.09 OUTLIER 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 125.119 3.879 . . . . 0.79 116.165 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.539 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 46.9 t-20 -53.42 124.57 15.18 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.41 -0.959 . . . . 0.85 108.41 178.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 3.2 mpt_? -89.66 -22.86 22.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 120.666 -1.271 . . . . 5.23 111.943 -176.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 94.8 m -83.37 -51.83 7.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.509 -0.769 . . . . 0.75 110.442 -178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.42 ' HB1' ' ND2' ' B' ' 50' ' ' ASN . . . -66.77 -46.84 74.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.586 . . . . 1.34 111.272 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.539 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 59.6 mt-30 -65.59 -30.82 71.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.839 0.681 . . . . 1.04 112.839 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 1.0 OUTLIER -63.08 -52.37 62.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.601 -1.259 . . . . 3.01 107.601 179.128 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mp -53.2 -43.74 67.43 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 114.674 -1.148 . . . . 1.26 111.871 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.88 -7.13 56.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.433 -0.349 . . . . 1.29 111.322 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.505 0 C-N-CA 120.098 -1.049 . . . . 1.6 112.851 -179.723 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 N--CA 1.454 -0.821 0 CA-C-O 121.455 0.523 . . . . 2.2 111.923 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.468 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 84.2 t -122.8 130.06 74.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.437 -0.949 . . . . 1.47 108.437 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.477 ' O ' HG22 ' A' ' 9' ' ' VAL . 22.6 p -97.41 171.83 8.15 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 113.44 0.904 . . . . 1.36 113.44 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.462 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -66.37 -17.92 65.05 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 114.071 -1.422 . . . . 1.24 109.338 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.61 -40.88 61.28 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.149 -0.932 . . . . 0.82 110.552 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -64.66 -41.62 95.97 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.586 -1.264 . . . . 1.86 107.586 178.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 5' ' ' THR . 44.1 t -60.01 -47.01 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 112.863 -1.971 . . . . 1.31 109.044 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.06 -36.45 81.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.139 -0.937 . . . . 1.25 111.798 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.15 -46.84 63.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.065 0.46 . . . . 2.41 111.115 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.55 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 69.1 t80 -71.09 -28.49 64.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.912 -0.586 . . . . 2.57 111.071 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 9' ' ' VAL . . . -84.61 -19.25 33.3 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 109.525 -0.546 . . . . 1.32 109.525 -179.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.01 46.6 43.25 Favored Glycine 0 CA--C 1.502 -0.772 0 N-CA-C 110.548 -1.021 . . . . 0.72 110.548 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.5 -169.56 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.086 -1.057 . . . . 1.26 109.329 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.2 m -102.66 150.34 23.53 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 108.606 -0.887 . . . . 1.03 108.606 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.462 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 36.6 p90 -51.28 -38.48 53.03 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.035 -0.53 . . . . 2.26 110.384 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -33.71 72.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 2.69 111.302 176.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.9 m -68.68 -44.4 74.1 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.295 0.569 . . . . 1.18 109.775 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 24' ' ' VAL . 71.4 t -61.16 -46.89 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 CA-C-N 115.08 -0.964 . . . . 1.28 110.139 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -61.39 -32.9 72.85 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.496 -0.774 . . . . 1.22 110.942 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.553 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 24.9 mtm180 -68.89 -30.3 68.77 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.857 -0.794 . . . . 3.12 108.857 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -78.21 -45.09 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 CA-C-N 115.605 -0.725 . . . . 1.33 109.422 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 20' ' ' VAL . 26.0 t -60.63 -43.06 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 115.562 -0.744 . . . . 1.37 109.423 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -64.65 -32.35 73.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.073 -0.967 . . . . 1.24 110.94 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 67.84 47.02 1.17 Allowed 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.415 0.447 . . . . 5.01 110.958 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.19 -151.48 0.46 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.234 0.54 . . . . 3.09 110.644 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -99.81 -172.65 2.28 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.714 -0.847 . . . . 2.08 108.714 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.7 m170 66.87 25.76 9.44 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.833 -0.432 . . . . 2.33 109.833 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.553 ' CG2' ' HB3' ' A' ' 22' ' ' ARG . 32.3 t -135.21 120.74 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.485 -0.779 . . . . 1.54 109.953 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -78.84 137.75 37.84 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.703 -0.851 . . . . 1.42 108.703 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -51.57 -39.64 58.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 1.68 112.512 -178.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -51.03 65.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.469 0.652 . . . . 3.58 111.372 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.566 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -71.86 -36.12 70.02 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.109 -0.95 . . . . 1.56 111.825 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -57.84 -48.64 79.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.13 0.49 . . . . 4.14 111.229 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 22.4 mt-10 -71.07 -19.48 62.47 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.542 -0.754 . . . . 1.72 112.823 -178.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 34' ' ' THR . 14.6 ptpt -85.62 -28.98 24.43 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.185 -0.606 . . . . 1.95 109.695 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.566 HG21 ' O ' ' A' ' 34' ' ' THR . 88.8 t -80.06 -41.36 21.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.305 -0.861 . . . . 1.27 109.482 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.23 -29.25 70.27 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.191 -1.041 . . . . 1.7 108.191 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.583 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -72.75 -40.18 66.25 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 114.366 -1.288 . . . . 1.38 110.433 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.91 87.6 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.833 -0.622 . . . . 1.24 110.621 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 30.8 mtt -64.27 -23.69 67.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.198 -0.91 . . . . 1.29 111.275 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.72 -32.86 20.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.567 0.699 . . . . 1.33 110.237 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 47.2 mm-40 -67.77 -59.39 3.35 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.575 -1.193 . . . . 1.55 111.539 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' O ' HG22 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -80.99 -11.38 59.57 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.179 -1.373 . . . . 2.37 111.94 -177.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 67.57 61.65 0.45 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.607 0.718 . . . . 2.34 110.73 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.7 t80 -78.97 129.93 35.0 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.105 -0.952 . . . . 2.17 112.143 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -114.74 112.46 45.26 Favored Pre-proline 0 N--CA 1.446 -0.63 0 CA-C-N 115.496 -0.774 . . . . 1.99 109.655 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -63.5 120.68 8.19 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.465 2.11 . . . . 0.78 111.892 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.527 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 51.1 m-80 -77.48 100.2 5.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.35 -0.841 . . . . 0.69 111.253 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.51 ' HD2' ' OE1' ' A' ' 54' ' ' GLN . 6.6 mmm180 -59.68 -30.19 68.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.191 -0.459 . . . . 4.93 112.057 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.4 -33.48 73.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.894 0.378 . . . . 0.7 111.06 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.49 ' HB3' HD11 ' B' ' 56' ' ' LEU . . . -74.97 -39.6 61.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.385 0.612 . . . . 1.2 109.389 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' ' 50' ' ' ASN . 43.4 mt-30 -64.92 -37.69 88.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.964 -1.016 . . . . 1.82 109.53 178.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -31.66 68.25 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.656 -0.702 . . . . 3.08 109.228 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.43 HD21 HD23 ' B' ' 56' ' ' LEU . 9.9 tp -68.93 -52.7 26.55 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.45 -0.795 . . . . 1.24 111.61 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.86 -14.66 61.54 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.625 0.972 . . . . 1.23 113.625 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.606 0 C-N-CA 118.942 -1.599 . . . . 1.86 114.019 -179.855 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.31 0.463 . . . . 2.12 111.425 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.65 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 99.4 t -84.38 163.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 115.453 -0.794 . . . . 1.33 110.895 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -133.52 158.18 43.79 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 116.349 -0.387 . . . . 1.29 110.188 -177.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.412 HD21 ' CG1' ' B' ' 20' ' ' VAL . 0.8 OUTLIER -54.52 -30.5 53.86 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.913 0.387 . . . . 1.29 110.914 177.039 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -65.89 -34.85 79.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.854 -0.612 . . . . 2.01 111.466 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -70.55 -36.95 73.95 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.377 -0.601 . . . . 1.45 109.377 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.463 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 31.5 t -64.83 -45.28 95.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.26 -0.882 . . . . 1.22 110.455 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.2 -54.76 39.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.651 -0.704 . . . . 1.12 111.134 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.89 -44.67 94.09 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.091 -0.959 . . . . 2.46 112.885 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -63.8 -43.07 97.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.995 0.426 . . . . 2.19 111.447 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.59 -23.1 59.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.785 -0.643 . . . . 1.26 111.523 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.03 44.5 7.6 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.401 -0.905 . . . . 1.09 111.497 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.401 ' HB ' HG21 ' B' ' 19' ' ' THR . 22.5 m -131.32 171.77 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 109.416 -0.587 . . . . 1.25 109.416 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 53.9 m -76.66 162.66 27.55 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.324 -0.991 . . . . 1.31 108.324 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -40.13 85.27 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.742 -0.383 . . . . 2.42 110.492 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -58.35 -27.88 64.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.78 0.8 . . . . 1.44 110.516 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.401 HG21 ' HB ' ' B' ' 15' ' ' VAL . 8.2 m -67.24 -50.48 60.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.099 -0.955 . . . . 1.22 112.383 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.412 ' CG1' HD21 ' B' ' 6' ' ' LEU . 2.7 p -62.02 -43.81 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.559 -0.291 . . . . 1.78 110.897 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -57.12 -50.57 72.39 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.533 0.683 . . . . 1.13 109.24 176.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 mtt85 -50.1 -39.77 43.69 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.735 -1.121 . . . . 3.37 112.689 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.404 HG13 ' HB ' ' B' ' 38' ' ' VAL . 56.1 t -69.82 -37.7 73.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.132 0.491 . . . . 1.37 110.975 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.12 -34.06 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 CA-C-N 115.575 -0.739 . . . . 1.33 111.007 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' B' ' 26' ' ' GLN . 46.0 m-80 -100.75 2.42 41.3 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.349 -0.387 . . . . 1.3 111.703 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 37.8 mt-30 75.0 -53.06 0.67 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.912 0.885 . . . . 4.39 109.206 -177.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.2 -129.24 0.41 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.484 -1.689 . . . . 2.82 110.352 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.4 p -158.32 -42.99 0.06 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.272 0.558 . . . . 1.96 109.859 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -85.71 56.95 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.73 -0.668 . . . . 1.64 110.053 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.5 t -136.39 130.14 47.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 1.61 110.618 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.597 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 18.4 m -78.67 150.22 32.65 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.346 -0.612 . . . . 1.09 109.346 178.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.44 -51.59 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.095 0.405 . . . . 1.64 112.095 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -56.3 -51.69 67.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.856 -0.611 . . . . 3.67 111.016 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.597 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -56.71 -39.1 73.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.288 -0.414 . . . . 1.21 111.302 179.401 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -66.34 -47.36 73.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.906 0.384 . . . . 4.13 110.928 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -64.54 -34.5 78.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 1.96 111.21 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -58.95 -47.83 83.69 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.203 0.525 . . . . 2.4 109.764 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.518 ' O ' ' HG3' ' B' ' 42' ' ' MET . 61.0 t -66.23 -40.28 86.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.595 -0.73 . . . . 1.22 111.412 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.64 -36.95 85.9 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 110.07 -0.344 . . . . 1.68 110.07 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.88 -49.07 69.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.183 0.516 . . . . 1.3 109.961 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.38 63.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.413 -0.812 . . . . 1.29 111.359 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.518 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 62.1 mtt -59.2 -23.26 62.11 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.917 0.389 . . . . 1.2 111.104 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.54 -46.4 8.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.619 -0.719 . . . . 1.34 111.027 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.96 -37.86 83.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.606 0.717 . . . . 1.58 111.22 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.642 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -82.94 -17.87 42.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.89 -1.05 . . . . 1.76 112.394 -179.252 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.492 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.2 OUTLIER 66.15 39.0 4.45 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 106.859 -1.534 . . . . 1.3 106.859 -174.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.65 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.0 t80 -56.78 121.26 9.4 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 114.671 -1.15 . . . . 2.36 111.084 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.492 HG12 ' O ' ' B' ' 46' ' ' ASN . 15.9 mm -127.01 102.83 24.07 Favored Pre-proline 0 N--CA 1.431 -1.391 0 N-CA-C 104.883 -2.266 . . . . 1.83 104.883 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -34.6 123.59 0.18 Allowed 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.951 3.101 . . . . 0.79 114.845 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.49 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 53.3 t-20 -66.03 81.9 0.08 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.319 -0.855 . . . . 0.85 110.825 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -51.5 -16.68 0.63 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.153 0.981 . . . . 5.23 113.569 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.403 ' HB2' ' OD1' ' B' ' 50' ' ' ASN . 60.1 m -79.38 -56.32 4.42 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.37 -0.377 . . . . 0.75 110.354 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.23 -30.35 48.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.507 -0.315 . . . . 1.34 111.194 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 21.2 mt-30 -62.02 -44.13 97.37 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.499 -0.319 . . . . 1.04 110.269 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -60.16 -46.36 89.94 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.598 -0.89 . . . . 3.01 108.598 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 53' ' ' ALA . 1.5 mp -55.64 -49.64 72.33 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.507 -0.77 . . . . 1.26 111.575 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.31 -1.39 10.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.001 -0.545 . . . . 1.29 112.335 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.421 0 C-N-CA 121.111 -0.566 . . . . 1.6 112.386 179.307 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.456 -0.7 0 N-CA-C 109.803 -0.884 . . . . 2.2 109.803 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.618 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 3.3 t -95.76 169.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 109.031 -0.729 . . . . 1.47 109.031 -178.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 p -135.59 163.15 30.77 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.174 -0.676 . . . . 1.36 109.174 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.433 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -65.24 -17.61 64.63 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.669 -0.493 . . . . 1.24 109.669 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' HE1' ' CD2' ' A' ' 17' ' ' TYR . 64.1 m-85 -76.76 -37.21 56.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.854 -0.612 . . . . 0.82 109.705 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.75 -38.24 89.77 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 122.689 1.233 . . . . 1.86 108.063 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.76 -47.85 74.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 113.167 -1.833 . . . . 1.31 109.77 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.81 91.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.479 -0.782 . . . . 1.25 110.92 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.39 -52.44 61.64 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.091 -0.504 . . . . 2.41 110.693 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.516 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 32.0 t80 -65.95 -25.66 67.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 2.57 111.93 -178.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.16 -17.36 23.83 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-O 120.903 0.382 . . . . 1.32 110.417 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.75 37.53 26.16 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.286 -0.726 . . . . 0.72 111.286 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.24 179.09 4.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 114.79 -0.705 . . . . 1.26 110.11 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.4 m -88.06 159.96 18.03 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.916 -0.772 . . . . 1.03 108.916 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.433 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 17.1 p90 -58.82 -41.93 88.0 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.98 -0.688 . . . . 2.26 109.385 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -60.95 -29.08 69.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.021 -0.536 . . . . 2.69 111.596 177.791 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.0 m -68.04 -39.09 83.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.021 -0.733 . . . . 1.18 109.021 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 24' ' ' VAL . 95.2 t -63.03 -50.22 80.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.087 -0.961 . . . . 1.28 110.662 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 m -60.67 -29.89 69.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.449 -0.342 . . . . 1.22 111.29 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 33.3 mtm180 -72.14 -28.88 63.54 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.706 -0.479 . . . . 3.12 109.706 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -84.04 -40.66 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 1.33 110.317 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 20' ' ' VAL . 51.8 t -65.96 -51.09 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 115.543 -0.753 . . . . 1.37 111.648 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -80.19 -33.68 38.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.137 -0.938 . . . . 1.24 113.366 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.629 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 54.2 mt-30 -133.45 -109.31 0.23 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 120.495 -0.482 . . . . 5.01 111.052 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 26' ' ' GLN . . . 158.43 -34.45 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 124.611 1.194 . . . . 3.09 110.392 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.94 155.71 39.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.427 -0.806 . . . . 2.08 110.846 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.5 m170 68.82 17.03 8.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.368 0.604 . . . . 2.33 110.941 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.48 131.83 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 107.37 -1.344 . . . . 1.54 107.37 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 m -54.82 139.9 38.28 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.747 0.784 . . . . 1.42 110.713 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.02 -8.68 39.62 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.402 -0.817 . . . . 1.68 112.462 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.49 -36.59 12.37 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.387 -1.338 . . . . 3.58 107.387 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.594 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -75.86 -36.32 59.6 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 114.645 -1.161 . . . . 1.56 112.505 -179.673 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -52.43 -50.1 63.25 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.624 0.601 . . . . 4.14 112.624 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -72.6 -21.46 61.12 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.073 0.463 . . . . 1.72 111.125 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -81.84 -31.14 31.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.731 -0.668 . . . . 1.95 110.386 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 34' ' ' THR . 89.1 t -76.23 -43.39 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.127 -0.694 . . . . 1.27 109.127 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -63.99 -27.72 69.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.371 -0.831 . . . . 1.7 109.453 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.57 -35.01 63.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.162 -0.926 . . . . 1.38 109.984 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.53 87.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 1.24 110.384 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.0 mtt -64.4 -26.8 68.62 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.69 -0.686 . . . . 1.29 112.074 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.49 -30.69 37.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.007 0.908 . . . . 1.33 109.676 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.516 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 59.9 mm-40 -70.12 -59.16 3.06 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-N 114.116 -1.402 . . . . 1.55 110.822 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.61 -14.72 57.95 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.113 -1.858 . . . . 2.37 111.85 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.84 55.49 1.62 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.438 0.637 . . . . 2.34 110.184 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 11.6 t80 -71.97 125.82 28.18 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.287 -0.87 . . . . 2.17 111.915 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.88 114.83 53.92 Favored Pre-proline 0 N--CA 1.443 -0.823 0 N-CA-C 108.727 -0.842 . . . . 1.99 108.727 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.92 118.61 5.49 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.794 2.33 . . . . 0.78 111.745 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -70.91 100.54 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.653 0.612 . . . . 0.69 112.653 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt-85 -64.1 -20.78 66.2 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.354 -0.839 . . . . 4.93 111.786 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -77.9 -48.92 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.307 . . . . 0.7 110.561 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' B' ' 56' ' ' LEU . . . -65.11 -38.81 91.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.154 -0.684 . . . . 1.2 109.154 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -53.23 -44.53 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.638 -1.165 . . . . 1.82 110.02 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -70.98 -36.02 72.35 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.433 -0.803 . . . . 3.08 109.988 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' B' ' 56' ' ' LEU . 7.2 tp -64.83 -52.94 54.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.999 -0.546 . . . . 1.24 111.693 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.74 -20.95 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.475 0.917 . . . . 1.23 113.475 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.923 0 C-N-CA 120.533 -0.841 . . . . 1.86 113.126 -179.6 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 N--CA 1.458 -0.595 0 N-CA-C 110.893 -0.464 . . . . 2.12 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.713 HG21 ' O ' ' B' ' 45' ' ' LEU . 97.0 t -75.93 158.62 5.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.136 -0.69 . . . . 1.33 109.136 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.528 HG23 ' HB2' ' B' ' 50' ' ' ASN . 39.2 p -135.19 161.35 35.6 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.263 0.554 . . . . 1.29 111.273 -177.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.448 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 0.6 OUTLIER -50.41 -31.0 13.73 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.016 -0.993 . . . . 1.29 110.443 178.059 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -69.44 -35.31 75.54 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.901 -0.591 . . . . 2.01 111.316 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -69.73 -35.85 75.35 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.926 -0.768 . . . . 1.45 108.926 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.439 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 42.9 t -67.76 -43.71 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.158 -0.928 . . . . 1.22 110.283 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.404 ' HB3' ' CG2' ' B' ' 20' ' ' VAL . . . -58.21 -49.55 76.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.489 -0.778 . . . . 1.12 111.576 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -45.21 94.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.272 -0.877 . . . . 2.46 111.605 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -65.94 -50.62 63.75 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 111.822 0.305 . . . . 2.19 111.822 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.417 ' HB1' ' CG ' ' B' ' 37' ' ' LYS . . . -67.16 -31.39 71.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.535 -0.466 . . . . 1.26 111.568 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.8 43.55 4.14 Favored Glycine 0 C--N 1.321 -0.302 0 C-N-CA 120.244 -0.979 . . . . 1.09 112.614 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.2 m -134.24 169.08 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.104 -1.073 . . . . 1.25 108.104 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' B' ' 19' ' ' THR . 70.4 m -73.97 151.04 40.42 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 107.735 -1.209 . . . . 1.31 107.735 177.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -40.92 74.99 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 110.374 -0.232 . . . . 2.42 110.374 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -54.91 -38.6 67.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.524 0.678 . . . . 1.44 110.696 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' B' ' 16' ' ' SER . 27.5 m -55.59 -36.97 67.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.827 -1.078 . . . . 1.22 111.415 178.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.458 HG11 ' CG1' ' B' ' 38' ' ' VAL . 3.6 t -67.93 -48.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-N 115.721 -0.672 . . . . 1.78 110.215 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 72.4 m -51.97 -48.41 64.37 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.933 -1.136 . . . . 1.13 107.933 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -55.04 -38.12 67.57 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.826 -1.534 . . . . 3.37 112.978 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 55.1 t -76.34 -42.3 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.79 -0.448 . . . . 1.37 109.79 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.65 -37.86 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 115.734 -0.666 . . . . 1.33 111.818 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -90.43 -4.88 56.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.97 -0.559 . . . . 1.3 111.135 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 56.76 39.39 29.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.695 0.76 . . . . 4.39 109.831 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.66 168.82 19.06 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.496 -1.229 . . . . 2.82 110.94 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.21 176.4 9.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 1.96 111.667 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 25.2 m170 67.84 26.39 7.64 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.455 -0.793 . . . . 1.64 110.767 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.655 ' HB ' ' NH2' ' B' ' 35' ' ' ARG . 49.9 t -119.98 124.99 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 115.396 -0.82 . . . . 1.61 110.054 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.506 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 49.0 m -68.1 152.12 45.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.601 -0.272 . . . . 1.09 110.758 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -52.92 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 1.64 112.111 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -53.26 -55.18 26.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.962 -0.563 . . . . 3.67 110.122 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.62 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -53.43 -38.78 63.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.38 -0.827 . . . . 1.21 111.485 178.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.655 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 8.2 tpp180 -63.61 -55.67 21.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.199 0.523 . . . . 4.13 109.829 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.14 -37.12 79.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.135 -0.939 . . . . 1.96 111.877 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.417 ' CG ' ' HB1' ' B' ' 13' ' ' ALA . 4.6 ttmm -63.25 -36.68 84.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.405 . . . . 2.4 110.861 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.62 HG21 ' O ' ' B' ' 34' ' ' THR . 94.2 t -75.86 -39.63 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.294 -0.412 . . . . 1.22 110.992 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -68.12 -26.97 66.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.328 -0.396 . . . . 1.68 110.648 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.44 -48.97 36.85 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.43 -0.805 . . . . 1.3 110.171 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.24 -28.94 44.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.227 -0.897 . . . . 1.29 111.177 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.483 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 65.3 mtt -60.91 -22.4 64.31 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.255 -0.884 . . . . 1.2 109.97 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.58 -49.45 8.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.494 . . . . 1.34 111.008 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.6 -48.83 78.32 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.484 0.659 . . . . 1.58 110.995 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.713 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -73.18 -18.66 61.24 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.171 -0.922 . . . . 1.76 112.398 -178.713 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.23 41.31 2.56 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.623 -1.621 . . . . 1.3 106.623 -174.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.608 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.4 t80 -54.47 119.14 4.82 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.041 -0.982 . . . . 2.36 110.848 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.1 mt -134.23 100.16 13.01 Favored Pre-proline 0 N--CA 1.436 -1.168 0 N-CA-C 102.505 -3.146 . . . . 1.83 102.505 177.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.511 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.4 OUTLIER -29.76 125.77 0.06 OUTLIER 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 124.722 3.615 . . . . 0.79 116.014 -174.867 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.528 ' HB2' HG23 ' B' ' 5' ' ' THR . 40.6 t-20 -63.68 78.76 0.03 OUTLIER 'General case' 0 C--N 1.346 0.457 0 CA-C-N 114.737 -1.12 . . . . 0.85 109.599 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 11.0 mmm180 -48.72 -26.51 2.36 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.879 -1.055 . . . . 5.23 112.966 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 56.1 m -67.28 -63.41 1.06 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.981 0.42 . . . . 0.75 110.955 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.65 65.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.041 -0.527 . . . . 1.34 111.315 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.511 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 9.5 mt-30 -66.83 -27.04 67.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.858 -0.61 . . . . 1.04 111.751 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 1.5 mt-30 -91.22 -21.08 21.29 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.642 -0.873 . . . . 3.01 108.642 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 53' ' ' ALA . 1.7 tp -74.61 -48.82 24.31 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.877 -1.056 . . . . 1.26 109.918 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.92 5.2 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 1.29 111.477 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.829 0 C-N-CA 120.631 -0.795 . . . . 1.6 112.229 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo . . . . . 0 N--CA 1.454 -0.836 0 N-CA-C 108.829 -1.258 . . . . 2.2 108.829 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.548 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 3.8 t -100.53 170.37 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 108.713 -0.847 . . . . 1.47 108.713 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.6 p -136.08 159.06 42.87 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.106 -1.072 . . . . 1.36 108.106 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.498 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -62.51 -15.85 52.6 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.177 0.513 . . . . 1.24 109.855 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -78.8 -36.74 42.26 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.736 -0.666 . . . . 0.82 110.59 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -63.51 -38.37 90.89 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.62 1.2 . . . . 1.86 107.785 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.522 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 22.6 t -66.7 -44.92 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.125 0 CA-C-N 112.72 -2.036 . . . . 1.31 109.873 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HB3' ' HA ' ' A' ' 17' ' ' TYR . . . -65.14 -35.68 81.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.281 -0.872 . . . . 1.25 111.538 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -71.13 -50.37 34.18 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.682 -0.69 . . . . 2.41 110.542 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.494 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 51.7 t80 -67.32 -23.01 65.59 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.535 -0.757 . . . . 2.57 111.472 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -93.35 -23.04 18.6 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 121.693 -0.629 . . . . 1.32 110.024 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.04 36.72 24.05 Favored Glycine 0 CA--C 1.506 -0.47 0 N-CA-C 110.816 -0.914 . . . . 0.72 110.816 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.0 m -127.31 -174.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.773 -0.713 . . . . 1.26 110.041 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -89.14 158.49 17.91 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 107.796 -1.187 . . . . 1.03 107.796 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.498 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 27.1 p90 -61.78 -41.72 98.08 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.28 -0.968 . . . . 2.26 109.833 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -60.89 -26.68 67.59 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.99 -0.284 . . . . 2.69 111.027 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.8 m -64.36 -42.69 96.07 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.659 0.742 . . . . 1.18 109.297 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.717 ' O ' HG21 ' A' ' 24' ' ' VAL . 68.4 t -60.64 -52.06 65.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.51 -1.223 . . . . 1.28 110.195 177.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.9 t -63.53 -26.88 68.91 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 120.913 0.387 . . . . 1.22 110.259 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -36.54 72.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.656 -0.868 . . . . 3.12 108.656 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 19' ' ' THR . 54.5 t -75.32 -40.86 43.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.519 0.676 . . . . 1.33 109.971 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.717 HG21 ' O ' ' A' ' 20' ' ' VAL . 40.3 t -68.04 -42.05 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.934 -1.03 . . . . 1.37 113.393 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -113.14 -1.71 14.31 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.747 1.758 . . . . 1.24 115.747 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -165.04 74.44 0.23 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.009 1.277 . . . . 5.01 112.979 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.86 -40.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.497 0.925 . . . . 3.09 113.497 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.555 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 1.2 m -67.78 148.93 50.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.791 -0.64 . . . . 2.08 110.18 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.555 ' HB2' ' O ' ' A' ' 28' ' ' SER . 28.5 m170 78.91 15.57 1.08 Allowed 'General case' 0 C--N 1.342 0.262 0 N-CA-C 107.993 -1.114 . . . . 2.33 107.993 -178.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 t -139.17 130.59 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 114.81 -1.086 . . . . 1.54 109.454 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.448 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 47.9 m -65.77 141.9 58.16 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.966 -0.561 . . . . 1.42 109.707 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.634 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.39 -40.05 81.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.695 -0.684 . . . . 1.68 111.36 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -42.56 85.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.929 0.395 . . . . 3.58 111.386 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.448 ' OG1' ' HB2' ' A' ' 31' ' ' SER . 0.1 OUTLIER -76.34 -39.38 54.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.141 -0.481 . . . . 1.56 111.815 179.415 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -59.26 -47.86 83.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.235 0.54 . . . . 4.14 111.704 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.634 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 35.3 mt-10 -70.48 -17.57 62.97 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.814 -0.63 . . . . 1.72 111.616 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 5.4 ptpt -87.8 -26.24 22.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.261 0.553 . . . . 1.95 110.086 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.459 HG12 HG22 ' A' ' 20' ' ' VAL . 70.0 t -82.03 -44.35 19.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.67 -0.695 . . . . 1.27 109.475 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.428 ' HA ' ' HE1' ' A' ' 42' ' ' MET . 47.7 mt-10 -59.11 -34.18 71.73 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.814 -0.81 . . . . 1.7 108.814 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.39 86.79 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.368 -1.287 . . . . 1.38 110.237 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.67 97.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 1.24 111.166 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.428 ' HE1' ' HA ' ' A' ' 39' ' ' GLU . 17.7 mtm -64.54 -22.06 66.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.171 -0.468 . . . . 1.29 111.84 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.7 -34.59 27.28 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.925 0.869 . . . . 1.33 109.564 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.494 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 44.2 mm-40 -68.37 -58.03 4.98 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 113.946 -1.479 . . . . 1.55 111.17 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -12.55 59.36 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 114.257 -1.338 . . . . 2.37 112.672 -177.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' HG21 ' A' ' 4' ' ' VAL . 9.2 m120 62.08 57.6 2.02 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.132 0.491 . . . . 2.34 109.938 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.548 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.1 t80 -73.45 126.76 30.94 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.565 -0.743 . . . . 2.17 111.491 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.7 mp -116.52 109.82 43.38 Favored Pre-proline 0 N--CA 1.446 -0.672 0 N-CA-C 108.703 -0.851 . . . . 1.99 108.703 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -53.89 123.38 13.31 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 123.067 2.512 . . . . 0.78 112.563 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -73.98 103.85 4.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.488 0.661 . . . . 0.69 112.32 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -18.75 65.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.636 -0.711 . . . . 4.93 111.127 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.64 -45.36 30.2 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.497 -0.557 . . . . 0.7 109.497 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.74 73.01 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.248 -0.649 . . . . 1.2 109.248 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -58.18 -51.94 67.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.919 -1.037 . . . . 1.82 110.505 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -64.29 -32.31 73.86 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.616 -0.434 . . . . 3.08 110.674 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.409 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 7.2 tp -67.24 -49.09 65.76 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.178 -0.464 . . . . 1.24 110.914 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.71 -17.64 16.38 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.455 0.909 . . . . 1.23 113.455 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 120.453 -0.88 . . . . 1.86 112.497 -179.667 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo . . . . . 0 N--CA 1.471 0.195 0 CA-C-O 120.647 0.186 . . . . 2.12 111.895 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.593 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.2 t -74.28 160.49 5.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.12 0.486 . . . . 1.33 109.928 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.456 ' N ' HG12 ' B' ' 4' ' ' VAL . 5.5 p -131.7 155.85 46.93 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 116.228 -0.442 . . . . 1.29 111.04 -177.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.429 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 0.7 OUTLIER -51.63 -29.35 17.35 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 111.892 0.33 . . . . 1.29 111.892 177.045 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -69.36 -36.8 77.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.834 -1.076 . . . . 2.01 111.105 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.83 -39.32 90.72 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.393 0.616 . . . . 1.45 109.422 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.445 ' HA ' HD22 ' B' ' 45' ' ' LEU . 25.3 t -65.18 -46.19 91.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-N 115.013 -0.994 . . . . 1.22 110.891 -179.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.85 -53.82 50.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.036 -0.984 . . . . 1.12 111.026 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -58.61 -49.33 77.87 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.357 -1.292 . . . . 2.46 111.777 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.456 ' CB ' HD21 ' B' ' 45' ' ' LEU . 40.9 t80 -60.8 -50.3 74.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 2.19 111.738 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.31 -21.09 64.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.805 0.668 . . . . 1.26 112.805 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.44 42.1 19.05 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 111.222 -0.751 . . . . 1.09 111.222 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -129.72 171.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 N-CA-C 108.658 -0.868 . . . . 1.25 108.658 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 46.7 p -72.89 159.26 34.0 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.759 -1.2 . . . . 1.31 107.759 177.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.09 -15.17 62.95 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.895 -0.322 . . . . 2.42 110.391 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -82.62 -35.55 26.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.757 -1.201 . . . . 1.44 107.757 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.469 ' O ' HG22 ' B' ' 23' ' ' VAL . 70.1 m -52.87 -36.01 58.45 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 113.95 -1.477 . . . . 1.22 109.392 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.429 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 1.8 t -66.76 -52.25 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.468 -0.787 . . . . 1.78 109.428 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 60.3 m -53.85 -49.0 69.43 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 107.91 -1.144 . . . . 1.13 107.91 176.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -52.4 -38.54 59.22 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 113.663 -1.608 . . . . 3.37 113.236 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 19' ' ' THR . 65.9 t -78.55 -46.96 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 117.985 0.357 . . . . 1.37 110.628 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 72.2 t -56.78 -40.68 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 O-C-N 123.716 0.635 . . . . 1.33 110.878 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -86.67 -5.34 59.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 1.3 111.723 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 56.73 40.77 28.98 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.493 -0.558 . . . . 4.39 109.493 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.92 170.56 15.71 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 114.908 -1.042 . . . . 2.82 112.26 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.98 173.14 11.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.267 -0.879 . . . . 1.96 112.73 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 55.0 m170 63.86 50.3 2.64 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.134 -0.939 . . . . 1.64 109.977 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -139.49 129.48 30.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.245 -0.889 . . . . 1.61 110.293 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.492 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 32.6 m -74.45 152.6 39.43 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.99 -0.55 . . . . 1.09 109.739 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.08 -49.19 74.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.96 -0.564 . . . . 1.64 111.425 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -57.5 -55.62 32.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.027 -0.533 . . . . 3.67 112.147 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -52.65 -34.07 49.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.224 -0.444 . . . . 1.21 111.397 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 7.0 tpp180 -71.19 -46.18 61.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.274 -0.421 . . . . 4.13 110.313 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -65.93 -32.7 74.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 1.96 111.786 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.54 -49.14 74.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.872 -0.604 . . . . 2.4 110.836 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.539 ' O ' ' HG3' ' B' ' 42' ' ' MET . 61.1 t -64.29 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.596 -0.729 . . . . 1.22 111.589 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 47.9 mt-10 -60.39 -39.84 88.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.915 0.388 . . . . 1.68 110.701 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.54 -43.27 66.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.311 0.577 . . . . 1.3 110.749 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.75 -29.64 59.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.399 -0.818 . . . . 1.29 110.774 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.539 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 51.8 mtt -62.8 -22.07 66.35 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.571 -0.74 . . . . 1.2 110.937 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.59 -43.89 9.9 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.111 -0.495 . . . . 1.34 110.522 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.22 -55.39 35.34 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.555 -0.748 . . . . 1.58 111.229 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.545 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -74.54 -14.21 60.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.09 -0.959 . . . . 1.76 111.431 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.48 43.65 5.81 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.973 -1.121 . . . . 1.3 107.973 -175.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.593 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 t80 -57.44 122.88 13.66 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 114.622 -1.172 . . . . 2.36 111.22 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.464 HG23 HD13 ' B' ' 48' ' ' ILE . 80.7 mt -138.67 98.09 8.93 Favored Pre-proline 0 N--CA 1.437 -1.106 0 N-CA-C 103.434 -2.802 . . . . 1.83 103.434 177.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.54 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.2 OUTLIER -28.97 121.66 0.05 OUTLIER 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 125.101 3.867 . . . . 0.79 116.725 -175.443 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -56.55 87.6 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 113.956 -1.475 . . . . 0.85 110.188 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 17.6 mmt85 -51.04 -23.77 3.29 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.729 1.011 . . . . 5.23 113.729 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 69.8 m -77.71 -57.06 4.01 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 119.992 -0.683 . . . . 0.75 111.56 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.36 -35.69 71.23 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.141 0.496 . . . . 1.34 111.193 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.54 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 6.9 mt-30 -65.87 -29.56 70.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.746 -0.661 . . . . 1.04 112.422 -178.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -89.39 -21.5 23.03 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.043 -0.725 . . . . 3.01 109.043 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.94 -42.36 33.28 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.085 -0.961 . . . . 1.26 108.919 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.23 3.08 3.08 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.699 0.629 . . . . 1.29 112.699 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.573 0 C-N-CA 120.155 -1.022 . . . . 1.6 113.989 178.837 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo . . . . . 0 N--CA 1.459 -0.53 0 CA-C-O 121.625 0.594 . . . . 2.2 111.336 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.536 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 18.0 t -101.58 171.72 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 107.629 -1.249 . . . . 1.47 107.629 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.479 ' O ' HG22 ' A' ' 9' ' ' VAL . 7.1 p -134.18 162.13 32.99 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 109.158 -0.682 . . . . 1.36 109.158 -178.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.507 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -63.74 -16.47 61.23 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.47 -0.567 . . . . 1.24 109.47 177.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -79.31 -39.33 33.12 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.077 -0.51 . . . . 0.82 110.086 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.65 -37.55 84.45 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 107.998 -1.112 . . . . 1.86 107.998 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 5' ' ' THR . 29.6 t -67.02 -49.04 77.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-N 112.753 -2.021 . . . . 1.31 109.437 178.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.66 92.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.388 -0.824 . . . . 1.25 110.781 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.53 -50.42 67.39 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.523 -0.762 . . . . 2.41 111.167 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.602 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 57.8 t80 -67.67 -24.02 65.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.89 0.376 . . . . 2.57 111.509 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.72 -18.88 24.25 Favored 'General case' 0 N--CA 1.434 -1.232 0 C-N-CA 120.615 -0.434 . . . . 1.32 110.35 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.38 38.82 27.95 Favored Glycine 0 N--CA 1.439 -1.101 0 N-CA-C 110.344 -1.102 . . . . 0.72 110.344 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.43 -175.06 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 115.022 -0.589 . . . . 1.26 109.752 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.2 m -93.82 151.49 19.56 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.468 -0.938 . . . . 1.03 108.468 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.507 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 22.3 p90 -53.33 -39.75 64.32 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.16 0.505 . . . . 2.26 110.744 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.531 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -62.0 -28.54 69.64 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.484 -0.78 . . . . 2.69 111.091 177.516 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -69.59 -43.43 72.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.707 0.765 . . . . 1.18 109.112 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.554 ' O ' HG21 ' A' ' 24' ' ' VAL . 78.0 t -59.76 -53.44 48.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 114.79 -1.095 . . . . 1.28 111.161 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 t -64.89 -23.94 67.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.163 -0.471 . . . . 1.22 110.703 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 11.5 ttp180 -72.83 -30.29 63.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.927 -0.768 . . . . 3.12 108.927 178.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.4 t -80.72 -42.45 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 CA-C-N 115.305 -0.861 . . . . 1.33 110.364 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 20' ' ' VAL . 23.5 t -67.05 -52.16 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.418 -0.81 . . . . 1.37 112.623 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -75.75 -37.5 59.27 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 113.291 0.849 . . . . 1.24 113.291 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.669 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 54.4 mm-40 -131.68 -114.15 0.23 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.531 -0.468 . . . . 5.01 111.663 -174.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.669 ' HB1' ' O ' ' A' ' 26' ' ' GLN . . . 158.25 -32.92 0.0 OUTLIER 'General case' 0 C--N 1.346 0.441 0 O-C-N 124.379 1.049 . . . . 3.09 110.866 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.87 151.59 46.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.971 -0.559 . . . . 2.08 109.536 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.6 m170 69.13 21.89 7.06 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 109.33 -0.619 . . . . 2.33 109.33 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.411 HG21 ' HE ' ' A' ' 22' ' ' ARG . 34.0 t -137.6 130.81 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.248 -0.887 . . . . 1.54 109.408 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -81.11 152.61 27.73 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.425 0.631 . . . . 1.42 110.088 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.13 69.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.627 -0.715 . . . . 1.68 110.819 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -51.75 -46.54 64.11 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.561 -0.745 . . . . 3.58 111.388 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.538 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -81.25 -39.61 25.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.135 0.493 . . . . 1.56 111.807 -179.134 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -53.64 -57.4 10.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.2 0.524 . . . . 4.14 111.706 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -67.52 -19.01 65.25 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.5 -0.773 . . . . 1.72 111.958 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -87.01 -28.45 22.63 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.61 -0.436 . . . . 1.95 109.937 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.538 HG21 ' O ' ' A' ' 34' ' ' THR . 70.6 t -78.21 -43.2 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.66 -0.496 . . . . 1.27 109.66 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -60.73 -35.48 76.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.526 -0.761 . . . . 1.7 109.205 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.04 -37.42 81.32 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.237 -0.892 . . . . 1.38 110.826 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.32 87.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.862 -0.608 . . . . 1.24 110.796 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 18.7 mtt -66.06 -27.16 67.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 1.29 112.29 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.46 -32.64 42.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.971 0.891 . . . . 1.33 109.259 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.602 ' HG3' ' CE2' ' A' ' 12' ' ' TYR . 38.0 mm-40 -69.42 -59.64 2.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.119 -1.4 . . . . 1.55 112.058 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.15 -8.81 59.66 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.016 -1.447 . . . . 2.37 112.736 -177.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.485 ' O ' HD12 ' A' ' 48' ' ' ILE . 83.6 m-20 61.31 56.95 2.52 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.238 0.542 . . . . 2.34 110.082 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.536 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 13.8 t80 -72.38 123.61 23.4 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.05 -0.523 . . . . 2.17 110.618 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -112.63 116.2 48.31 Favored Pre-proline 0 N--CA 1.434 -1.268 0 N-CA-C 109.321 -0.622 . . . . 1.99 109.321 178.286 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.434 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 47.4 Cg_exo -57.02 116.77 3.44 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.364 2.709 . . . . 0.78 112.7 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -76.54 95.93 4.0 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.012 0.434 . . . . 0.69 110.585 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' A' ' 49' ' ' PRO . 5.2 mpt_? -58.23 -25.86 62.19 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.404 -0.816 . . . . 4.93 111.216 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -43.02 85.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.898 0.856 . . . . 0.7 109.603 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.81 -37.85 70.3 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.781 -1.099 . . . . 1.2 109.308 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -59.89 -40.15 87.75 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.027 0.829 . . . . 1.82 109.705 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -68.25 -39.52 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.297 -0.865 . . . . 3.08 109.394 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 tp -58.88 -51.81 68.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.231 0.539 . . . . 1.24 111.205 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.99 -13.38 61.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.363 -0.835 . . . . 1.23 112.123 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.939 0 C-N-CA 120.908 -0.663 . . . . 1.86 111.544 -178.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo . . . . . 0 N--CA 1.456 -0.719 0 N-CA-C 110.887 -0.467 . . . . 2.12 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.667 HG22 ' O ' ' B' ' 45' ' ' LEU . 20.9 t -68.61 167.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 N-CA-C 108.632 -0.877 . . . . 1.33 108.632 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 24.3 p -130.84 155.96 45.84 Favored 'General case' 0 N--CA 1.432 -1.336 0 O-C-N 121.832 -0.542 . . . . 1.29 110.645 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.655 HD22 ' CZ ' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -52.2 -28.96 20.3 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 123.554 0.534 . . . . 1.29 111.324 177.285 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -69.01 -37.77 78.88 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.504 -0.316 . . . . 2.01 110.889 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.476 ' O ' HD22 ' B' ' 45' ' ' LEU . 19.3 m-20 -64.19 -37.15 86.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.595 -0.52 . . . . 1.45 109.595 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.492 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 28.2 t -69.24 -46.37 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.707 -0.679 . . . . 1.22 109.591 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.28 -57.37 11.48 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.89 -1.05 . . . . 1.12 111.572 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -47.71 79.09 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.933 -1.03 . . . . 2.46 112.337 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -64.02 -50.48 68.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.514 -0.767 . . . . 2.19 112.489 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.527 ' HB2' ' HG3' ' B' ' 37' ' ' LYS . . . -65.76 -25.08 67.11 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.296 -0.411 . . . . 1.26 111.979 -178.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.48 43.69 10.15 Favored Glycine 0 N--CA 1.438 -1.19 0 C-N-CA 120.085 -1.055 . . . . 1.09 111.614 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.71 165.31 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 N-CA-C 107.912 -1.144 . . . . 1.25 107.912 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.2 m -70.1 159.23 34.27 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.918 -1.142 . . . . 1.31 107.918 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.655 ' CZ ' HD22 ' B' ' 6' ' ' LEU . 37.9 t80 -58.62 -50.17 74.81 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-O 120.808 0.337 . . . . 2.42 111.325 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -50.65 -38.33 45.7 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.758 0.423 . . . . 1.44 110.745 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.615 ' O ' HG22 ' B' ' 23' ' ' VAL . 20.7 m -54.73 -41.63 70.62 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.401 1.063 . . . . 1.22 111.657 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.456 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 22.0 t -66.19 -52.05 52.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 115.089 -0.959 . . . . 1.78 110.171 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 52.8 m -54.15 -47.44 71.95 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 107.698 -1.223 . . . . 1.13 107.698 176.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.423 ' HD2' HG21 ' B' ' 30' ' ' VAL . 8.0 ttm180 -51.96 -37.89 54.58 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.411 -1.268 . . . . 3.37 112.094 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.615 HG22 ' O ' ' B' ' 19' ' ' THR . 87.2 t -76.7 -40.84 33.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.114 0.483 . . . . 1.37 110.832 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.68 -31.02 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.32 -0.855 . . . . 1.33 110.705 -178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -92.07 -1.08 57.4 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.426 -0.806 . . . . 1.3 109.885 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 51.05 42.05 28.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 123.874 0.734 . . . . 4.39 109.803 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.27 -178.43 6.6 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.243 -0.89 . . . . 2.82 111.225 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -91.17 178.04 6.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.485 -0.78 . . . . 1.96 112.191 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 62.67 45.87 5.71 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 114.566 -1.197 . . . . 1.64 110.594 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.423 HG21 ' HD2' ' B' ' 22' ' ' ARG . 21.3 t -135.86 116.24 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.867 -0.606 . . . . 1.61 110.416 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.674 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 32.3 m -61.53 156.51 19.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 123.763 0.665 . . . . 1.09 110.172 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.58 68.76 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 122.418 -0.176 . . . . 1.64 111.311 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -55.7 -52.07 65.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 3.67 111.288 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.674 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -55.5 -39.04 69.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.805 -0.634 . . . . 1.21 111.382 179.179 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -70.58 -46.48 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.068 0.461 . . . . 4.13 110.627 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -67.93 -26.39 65.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.959 -0.564 . . . . 1.96 111.474 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.527 ' HG3' ' HB2' ' B' ' 13' ' ' ALA . 0.5 OUTLIER -68.26 -47.64 67.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.02 -0.536 . . . . 2.4 110.18 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' B' ' 42' ' ' MET . 94.7 t -66.38 -38.79 82.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 115.248 -0.887 . . . . 1.22 111.0 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -65.71 -34.89 79.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.034 -0.53 . . . . 1.68 109.576 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.74 -44.1 64.68 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.583 0.706 . . . . 1.3 110.593 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' B' ' 45' ' ' LEU . . . -56.62 -29.52 62.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.06 -0.973 . . . . 1.29 110.985 178.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.511 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 44.6 mtt -64.12 -20.62 66.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.003 -0.544 . . . . 1.2 109.861 179.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.7 -52.84 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.397 -0.365 . . . . 1.34 110.857 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -36.89 79.35 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 122.249 1.023 . . . . 1.58 110.25 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.667 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -82.0 -17.9 45.25 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.567 -1.197 . . . . 1.76 112.255 178.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.54 43.44 5.85 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.969 -1.123 . . . . 1.3 107.969 -175.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.583 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.1 t80 -54.85 125.23 19.32 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.474 -1.239 . . . . 2.36 110.362 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.4 mm -140.64 98.85 7.03 Favored Pre-proline 0 N--CA 1.444 -0.751 0 N-CA-C 102.542 -3.133 . . . . 1.83 102.542 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -34.51 131.33 0.18 Allowed 'Trans proline' 0 N--CA 1.479 0.655 0 C-N-CA 124.203 3.268 . . . . 0.79 115.495 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -59.97 88.34 0.01 OUTLIER 'General case' 0 C--N 1.343 0.284 0 CA-C-N 114.585 -1.189 . . . . 0.85 110.338 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -47.69 -33.43 6.89 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.738 0.644 . . . . 5.23 112.738 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.55 -60.95 1.96 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.614 -0.721 . . . . 0.75 111.901 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.87 -34.04 75.91 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.825 -0.625 . . . . 1.34 111.828 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -65.55 -31.86 73.14 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.61 0.596 . . . . 1.04 112.61 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -81.52 -24.54 36.57 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.658 -0.867 . . . . 3.01 108.658 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tp -71.63 -48.46 47.75 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.075 -0.966 . . . . 1.26 111.084 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.7 -67.35 0.34 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 120.253 -0.579 . . . . 1.29 110.002 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.674 0 C-N-CA 118.192 -1.956 . . . . 1.6 112.046 174.874 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo . . . . . 0 N--CA 1.456 -0.711 0 CA-C-O 121.32 0.467 . . . . 2.2 111.961 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 45' ' ' LEU . 67.4 t -129.94 131.55 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 107.248 -1.39 . . . . 1.47 107.248 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 9' ' ' VAL . 4.0 p -83.49 161.76 21.15 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 112.262 0.467 . . . . 1.36 112.262 -178.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.539 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.4 pt? -65.41 -15.93 63.1 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.65 -0.705 . . . . 1.24 109.538 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -75.33 -42.56 54.1 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.705 -0.68 . . . . 0.82 109.443 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.12 -39.63 86.9 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.878 1.323 . . . . 1.86 107.538 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 5' ' ' THR . 32.5 t -65.22 -46.19 91.53 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 CA-C-N 112.462 -2.154 . . . . 1.31 109.538 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.6 96.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.715 -1.13 . . . . 1.25 111.647 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -63.26 -50.96 68.09 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.329 0.585 . . . . 2.41 111.086 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.589 ' CD2' HD22 ' A' ' 45' ' ' LEU . 25.8 t80 -65.96 -25.78 67.27 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.423 0.527 . . . . 2.57 112.423 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.93 -25.84 25.88 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.016 -0.735 . . . . 1.32 109.016 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.57 41.24 7.4 Favored Glycine 0 CA--C 1.501 -0.793 0 N-CA-C 109.975 -1.25 . . . . 0.72 109.975 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.9 m -141.31 -167.01 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 114.482 -0.859 . . . . 1.26 110.334 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -106.9 151.84 24.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 1.03 109.874 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.539 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 42.4 p90 -49.72 -44.39 48.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.86 -0.609 . . . . 2.26 111.022 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -28.27 69.75 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 111.933 0.346 . . . . 2.69 111.933 176.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -68.12 -42.75 79.76 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 107.842 -1.17 . . . . 1.18 107.842 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.573 ' O ' HG21 ' A' ' 24' ' ' VAL . 87.9 t -58.86 -50.95 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 114.952 -1.022 . . . . 1.28 111.708 177.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.5 t -64.71 -25.2 67.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.32 0.581 . . . . 1.22 110.563 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 5.7 ttp180 -69.77 -29.62 67.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.703 -0.68 . . . . 3.12 109.326 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.2 t -86.0 -48.82 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 121.136 0.494 . . . . 1.33 110.844 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 20' ' ' VAL . 47.1 t -56.01 -47.06 80.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.616 -0.72 . . . . 1.37 112.762 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.524 ' C ' ' HG2' ' A' ' 26' ' ' GLN . 76.9 m-20 -97.01 -10.53 26.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 114.019 1.118 . . . . 1.24 114.019 -178.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.608 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 2.2 mm-40 -142.68 -117.55 0.1 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.862 0.755 . . . . 5.01 110.659 -177.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 26' ' ' GLN . . . 163.27 -37.65 0.0 OUTLIER 'General case' 0 C--O 1.234 0.255 0 O-C-N 124.464 1.103 . . . . 3.09 110.565 -177.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 7.1 m -74.5 157.4 35.6 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.01 -0.995 . . . . 2.08 110.702 -178.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 28' ' ' SER . 57.5 m170 71.08 16.64 6.33 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.856 0.836 . . . . 2.33 109.67 -178.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -132.8 126.26 53.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 CA-C-N 114.913 -1.04 . . . . 1.54 108.325 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 p -61.78 152.25 31.92 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.754 -0.832 . . . . 1.42 108.754 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.88 -6.18 25.64 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.92 -0.582 . . . . 1.68 111.633 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 33' ' ' LYS . 11.6 ttpt -90.85 -45.25 8.9 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.216 -1.031 . . . . 3.58 108.216 -177.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.526 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.9 p -77.29 -24.61 50.95 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.676 -0.693 . . . . 1.56 112.416 -178.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -58.54 -54.86 42.27 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 120.086 -0.646 . . . . 4.14 110.585 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.68 -26.16 68.54 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 113.554 0.946 . . . . 1.72 113.554 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -85.96 -24.81 26.37 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 119.945 -0.702 . . . . 1.95 110.563 -178.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' A' ' 40' ' ' ALA . 58.6 t -75.79 -38.59 37.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 107.038 -1.467 . . . . 1.27 107.038 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -71.81 -2.71 18.67 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 113.922 -1.49 . . . . 1.7 108.485 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.538 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -96.57 -45.11 6.86 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.001 -1.481 . . . . 1.38 107.001 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.39 84.07 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 113.565 -1.652 . . . . 1.24 112.031 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.401 ' CE ' HG22 ' A' ' 24' ' ' VAL . 31.8 mtt -58.18 -30.9 66.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.372 -0.376 . . . . 1.29 111.787 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.88 -37.87 23.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.383 0.611 . . . . 1.33 109.747 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 32.3 mm-40 -62.07 -56.92 14.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.668 -1.151 . . . . 1.55 112.079 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.589 HD22 ' CD2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -88.11 -11.64 46.41 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.888 -1.505 . . . . 2.37 111.841 -177.852 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 66.81 69.26 0.41 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.158 -0.682 . . . . 2.34 109.158 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.9 t80 -82.54 125.17 30.83 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 123.592 0.757 . . . . 2.17 112.112 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 118.9 22.85 Favored Pre-proline 0 N--CA 1.454 -0.271 0 N-CA-C 108.737 -0.838 . . . . 1.99 108.737 176.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.3 129.12 32.46 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.385 2.056 . . . . 0.78 112.592 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -77.14 113.14 14.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.69 110.954 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 51' ' ' ARG . 29.4 mmt180 -63.32 -35.94 82.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.732 -0.667 . . . . 4.93 112.327 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -66.57 -44.6 81.85 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 122.278 -0.264 . . . . 0.7 110.47 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.73 -49.24 77.22 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.482 -0.562 . . . . 1.2 109.482 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -55.43 -41.79 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.046 -0.979 . . . . 1.82 110.336 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -74.09 -21.01 60.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.492 -0.776 . . . . 3.08 112.363 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -87.91 -46.32 9.5 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 109.211 -0.662 . . . . 1.24 109.211 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.62 -59.18 4.93 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.549 -1.205 . . . . 1.23 110.525 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.575 0 C-N-CA 117.154 -2.45 . . . . 1.86 115.3 178.538 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo . . . . . 0 C--O 1.235 0.356 0 N-CA-C 112.406 0.118 . . . . 2.12 112.406 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.609 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 69.3 t -138.28 161.72 31.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 C-N-CA 120.813 -0.355 . . . . 1.33 110.831 -178.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.432 ' N ' HG11 ' B' ' 4' ' ' VAL . 43.1 p -132.36 159.35 39.46 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 119.2 -0.429 . . . . 1.29 110.93 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.496 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 0.4 OUTLIER -52.87 -27.15 17.18 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.48 0.487 . . . . 1.29 112.036 177.107 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -71.34 -29.39 64.93 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.5 0.666 . . . . 2.01 111.374 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -76.93 -35.07 57.57 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.63 -0.714 . . . . 1.45 109.529 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.411 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 57.9 t -68.51 -43.58 83.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 115.21 -0.905 . . . . 1.22 110.694 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.13 74.96 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.656 -0.702 . . . . 1.12 111.022 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.32 -48.28 81.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.095 -0.957 . . . . 2.46 111.293 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -64.38 -53.93 40.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 113.172 0.805 . . . . 2.19 113.172 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.481 ' CB ' ' HG2' ' B' ' 37' ' ' LYS . . . -63.9 -27.45 69.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.373 0.606 . . . . 1.26 110.333 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.24 50.72 3.76 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.25 -0.74 . . . . 1.09 111.25 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 22.8 m -140.55 159.93 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 109.121 -0.696 . . . . 1.25 109.121 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.448 ' O ' ' HB ' ' B' ' 19' ' ' THR . 66.4 m -67.93 154.55 41.34 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.41 -0.589 . . . . 1.31 109.41 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -39.09 83.48 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.959 -0.386 . . . . 2.42 109.959 -178.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -56.34 -38.66 71.65 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 110.02 -0.363 . . . . 1.44 110.02 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' B' ' 16' ' ' SER . 94.0 m -55.13 -38.17 67.87 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.599 -0.728 . . . . 1.22 111.22 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.496 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 8.8 t -66.12 -47.85 83.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.875 -0.602 . . . . 1.78 109.85 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 12.7 t -52.02 -50.11 62.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.415 -1.328 . . . . 1.13 107.415 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' B' ' 22' ' ' ARG . 29.1 mtm180 -53.16 -39.99 63.97 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 114.768 -1.106 . . . . 3.37 112.192 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -75.8 -42.15 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 120.949 0.404 . . . . 1.37 110.66 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.51 -40.4 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.47 0.653 . . . . 1.33 110.692 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -81.99 -4.22 56.22 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.381 -0.827 . . . . 1.3 111.452 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.436 ' OE1' ' HD3' ' B' ' 35' ' ' ARG . 3.7 mm100 52.5 39.8 28.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.243 0.544 . . . . 4.39 109.818 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.37 174.1 11.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.951 -1.022 . . . . 2.82 111.437 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 15.1 m -84.23 173.42 11.02 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.317 -0.856 . . . . 1.96 110.944 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' B' ' 28' ' ' SER . 56.3 m170 71.92 30.18 2.29 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.371 0.668 . . . . 1.64 111.295 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.44 123.67 66.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.189 -0.46 . . . . 1.61 110.104 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.511 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 53.4 m -67.81 154.85 40.65 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 123.776 0.673 . . . . 1.09 109.567 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.02 -48.17 83.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.062 0.458 . . . . 1.64 111.385 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -59.45 -54.19 49.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.569 -0.741 . . . . 3.67 110.957 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.511 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.3 OUTLIER -55.5 -34.22 64.42 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.79 -0.641 . . . . 1.21 111.225 178.861 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.436 ' HD3' ' OE1' ' B' ' 26' ' ' GLN . 8.5 ttm180 -67.69 -56.33 9.72 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 120.873 0.368 . . . . 4.13 111.126 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -61.47 -28.97 69.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.933 -0.576 . . . . 1.96 111.082 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.481 ' HG2' ' CB ' ' B' ' 13' ' ' ALA . 18.7 ttmm -63.1 -40.26 97.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.319 -0.855 . . . . 2.4 110.746 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.586 ' O ' ' HG3' ' B' ' 42' ' ' MET . 93.5 t -75.82 -39.19 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 115.314 -0.857 . . . . 1.22 110.163 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.29 -38.28 90.56 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.552 -0.536 . . . . 1.68 109.552 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.26 -47.43 67.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.026 -0.534 . . . . 1.3 111.311 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.88 -28.71 24.33 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.952 -0.567 . . . . 1.29 111.429 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 44.5 mtt -64.11 -20.91 66.3 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.462 -0.79 . . . . 1.2 110.428 -178.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.68 -49.11 7.06 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 112.236 0.458 . . . . 1.34 112.236 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.3 -47.38 83.86 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.546 -0.752 . . . . 1.58 110.509 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.532 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -72.91 -22.78 60.68 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.425 -1.261 . . . . 1.76 112.501 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . 0.406 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.2 OUTLIER 67.61 40.36 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.195 -1.409 . . . . 1.3 107.195 -175.266 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.609 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.8 t80 -49.72 116.92 1.98 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 114.851 -1.068 . . . . 2.36 111.181 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.406 HG12 ' O ' ' B' ' 46' ' ' ASN . 42.6 mm -130.81 99.03 18.72 Favored Pre-proline 0 N--CA 1.44 -0.966 0 N-CA-C 103.284 -2.858 . . . . 1.83 103.284 177.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . 0.451 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 3.5 Cg_exo -30.45 127.08 0.07 OUTLIER 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 125.047 3.831 . . . . 0.79 116.513 -175.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -66.55 79.05 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.594 -1.185 . . . . 0.85 111.181 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 3.0 mmp_? -48.39 -31.22 5.88 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 114.05 1.13 . . . . 5.23 114.05 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 3.5 m -67.36 -57.91 5.74 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.598 0.713 . . . . 0.75 110.378 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.86 71.62 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.882 -0.599 . . . . 1.34 110.758 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.451 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 20.2 mt-30 -66.8 -21.67 66.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.84 -0.618 . . . . 1.04 111.946 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 1.8 mm-40 -92.84 -24.3 18.54 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 121.894 -0.504 . . . . 3.01 110.185 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tp -79.07 -38.56 36.06 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.281 -1.007 . . . . 1.26 108.281 178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.61 0.83 41.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.433 -0.803 . . . . 1.29 111.664 -178.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.359 0 CA-C-O 119.481 -0.622 . . . . 1.6 114.633 178.693 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo . . . . . 0 N--CA 1.45 -1.076 0 CA-C-O 121.086 0.369 . . . . 2.2 112.32 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.592 HG21 ' O ' ' A' ' 45' ' ' LEU . 75.6 t -127.2 131.42 70.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 107.614 -1.254 . . . . 1.47 107.614 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.442 ' O ' HG22 ' A' ' 9' ' ' VAL . 4.0 p -88.05 167.08 13.99 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 113.371 0.878 . . . . 1.36 113.371 -177.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.524 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.1 pt? -67.66 -16.93 64.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.541 -1.209 . . . . 1.24 108.908 178.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -76.3 -42.14 46.3 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.745 -0.661 . . . . 0.82 109.45 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.57 -42.45 96.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.574 -1.269 . . . . 1.86 107.574 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 5' ' ' THR . 37.4 t -62.7 -46.65 95.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 112.736 -2.029 . . . . 1.31 110.017 178.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.79 -41.43 86.68 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.028 -0.987 . . . . 1.25 110.12 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.22 -48.48 67.69 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.948 -0.569 . . . . 2.41 110.331 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.44 ' HH ' ' HB3' ' A' ' 44' ' ' GLU . 2.4 t80 -62.17 -27.66 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.539 -0.755 . . . . 2.57 110.899 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.7 -19.3 20.52 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 115.551 -0.75 . . . . 1.32 111.188 -177.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.63 38.06 21.61 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.924 -0.87 . . . . 0.72 110.924 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 35.9 m -132.81 -169.23 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.84 -0.68 . . . . 1.26 110.527 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.3 p -99.9 150.43 22.39 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.223 -1.029 . . . . 1.03 108.223 177.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 44.3 p90 -48.3 -39.17 20.91 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 123.651 0.594 . . . . 2.26 110.02 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -30.77 71.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.114 -0.494 . . . . 2.69 112.129 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.413 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 53.3 m -63.95 -41.38 97.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.477 0.656 . . . . 1.18 109.477 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 24' ' ' VAL . 62.0 t -58.9 -48.32 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 114.858 -1.065 . . . . 1.28 110.824 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -67.63 -25.27 65.66 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 121.09 0.471 . . . . 1.22 110.126 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.413 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -67.7 -37.03 81.73 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 109.216 -0.661 . . . . 3.12 109.216 179.324 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.3 t -81.47 -48.95 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 112.022 0.379 . . . . 1.33 112.022 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 20' ' ' VAL . 41.1 t -56.42 -44.38 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 115.912 -0.586 . . . . 1.37 111.22 -178.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -85.83 -37.04 19.63 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.326 0.862 . . . . 1.24 113.326 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HB2' ' H ' ' A' ' 27' ' ' ALA . 37.5 mt-30 -139.31 -92.7 0.18 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.737 1.014 . . . . 5.01 113.737 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 28' ' ' SER . . . 102.02 120.76 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.622 1.969 . . . . 3.09 108.931 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 23.4 p 159.57 -0.59 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.561 1.172 . . . . 2.08 109.982 -177.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -131.9 15.66 4.75 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.504 -1.68 . . . . 2.33 106.641 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -138.29 126.36 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 114.048 -1.433 . . . . 1.54 108.703 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.7 p -63.26 146.66 52.95 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 123.76 0.663 . . . . 1.42 110.779 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.5 -37.83 70.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.672 . . . . 1.68 111.452 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -51.54 -45.36 62.97 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.042 -0.526 . . . . 3.58 111.301 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.679 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -89.51 -33.74 16.65 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.856 -0.611 . . . . 1.56 112.115 -179.139 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -56.76 -57.61 11.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.83 0.348 . . . . 4.14 111.767 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.99 -18.41 65.27 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.608 0.718 . . . . 1.72 110.06 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -83.55 -28.95 28.24 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.068 -0.969 . . . . 1.95 110.259 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.679 HG21 ' O ' ' A' ' 34' ' ' THR . 88.9 t -78.35 -40.99 25.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.267 0.556 . . . . 1.27 109.663 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.05 -32.94 71.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.277 -0.874 . . . . 1.7 109.054 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.43 -33.43 48.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.571 -1.195 . . . . 1.38 111.011 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.714 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -60.56 -42.13 95.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 1.24 109.688 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.6 mtt -57.71 -28.75 64.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.726 -1.125 . . . . 1.29 113.256 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.77 -30.26 29.05 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.643 0.735 . . . . 1.33 110.05 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 57.1 mm-40 -67.9 -58.98 3.66 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.269 -1.332 . . . . 1.55 112.503 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.714 HD22 ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -88.37 -4.54 58.64 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.483 -0.781 . . . . 2.37 111.839 -179.331 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.461 ' N ' HD21 ' A' ' 45' ' ' LEU . 28.1 m120 71.28 70.66 0.17 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.575 0.547 . . . . 2.34 111.721 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.513 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 17.8 t80 -84.79 127.97 34.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.689 -0.687 . . . . 2.17 111.632 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.12 106.16 36.4 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 115.958 -0.564 . . . . 1.99 109.72 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -54.69 120.92 8.89 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.889 2.392 . . . . 0.78 112.03 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -77.9 103.5 7.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.566 . . . . 0.69 110.639 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 23.0 mmt180 -66.26 -25.86 67.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.14 -0.482 . . . . 4.93 111.307 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.86 -37.94 82.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.801 -0.815 . . . . 0.7 108.801 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.76 -39.6 51.09 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.924 -1.035 . . . . 1.2 109.335 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -60.6 -34.52 74.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.903 -1.044 . . . . 1.82 109.917 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 51.9 mt-30 -75.89 -38.28 57.98 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.994 -0.372 . . . . 3.08 109.994 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.14 -53.76 52.97 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.738 -0.665 . . . . 1.24 112.144 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.19 -21.45 24.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.375 -0.375 . . . . 1.23 111.883 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.893 0 C-N-CA 120.854 -0.689 . . . . 1.86 113.642 -178.495 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo . . . . . 0 N--CA 1.457 -0.625 0 N-CA-C 110.577 -0.586 . . . . 2.12 110.577 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.727 HG21 ' O ' ' B' ' 45' ' ' LEU . 74.4 t -95.78 160.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.699 -0.482 . . . . 1.33 109.699 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.425 ' N ' HG12 ' B' ' 4' ' ' VAL . 14.0 p -134.34 159.85 39.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.741 -0.663 . . . . 1.29 109.959 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.479 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 3.8 tt -56.46 -26.25 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.174 0.511 . . . . 1.29 109.776 177.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -65.55 -39.74 92.05 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.133 -0.485 . . . . 2.01 110.668 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.7 -40.1 95.96 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.827 -0.805 . . . . 1.45 108.827 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.506 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 38.4 t -62.99 -43.63 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 CA-C-N 114.386 -1.279 . . . . 1.22 109.507 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.58 -59.73 4.57 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.524 -0.762 . . . . 1.12 111.672 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -54.55 -51.84 63.96 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.649 -1.159 . . . . 2.46 112.136 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -62.1 -50.12 73.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.383 0.512 . . . . 2.19 112.383 -178.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' B' ' 9' ' ' VAL . . . -63.4 -21.65 66.41 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.806 -0.634 . . . . 1.26 111.36 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.48 48.57 7.96 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.437 -0.887 . . . . 1.09 111.091 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 22.8 m -139.12 169.17 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 108.579 -0.897 . . . . 1.25 108.579 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 51.4 p -81.52 164.54 21.9 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.307 -0.627 . . . . 1.31 109.307 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.96 -54.34 40.27 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 123.725 0.81 . . . . 2.42 111.043 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.448 ' HG3' ' HG3' ' B' ' 22' ' ' ARG . 48.5 tp60 -54.74 -35.86 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.738 -0.665 . . . . 1.44 111.34 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -59.06 -42.74 91.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.459 0.647 . . . . 1.22 111.114 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.539 HG11 ' CG1' ' B' ' 38' ' ' VAL . 3.4 t -63.34 -48.37 87.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.162 -0.926 . . . . 1.78 110.226 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.5 m -62.6 -46.05 90.06 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.544 -0.91 . . . . 1.13 108.544 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.488 ' HB3' ' HB3' ' B' ' 27' ' ' ALA . 6.4 mtt-85 -50.66 -45.09 57.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.005 -1.452 . . . . 3.37 111.981 178.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.8 t -76.11 -25.74 17.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-O 121.433 0.635 . . . . 1.37 110.573 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -23.83 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 115.59 -0.732 . . . . 1.33 109.689 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -103.11 -91.01 0.36 Allowed 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 116.078 -0.51 . . . . 1.3 111.596 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -165.94 52.08 0.09 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.87 0.693 . . . . 4.39 112.87 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . . . -65.98 110.13 2.8 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.876 0.695 . . . . 2.82 112.876 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.5 m -72.51 -52.47 15.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.243 -0.89 . . . . 1.96 112.609 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -88.22 67.6 8.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.49 0.662 . . . . 1.64 111.791 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 37.7 t -143.58 141.72 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.542 -1.281 . . . . 1.61 107.542 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -66.5 151.22 47.68 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.852 -0.339 . . . . 1.09 110.119 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.15 98.01 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.075 -0.25 . . . . 1.64 111.318 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -52.79 -55.77 20.52 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.822 0.344 . . . . 3.67 111.471 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.526 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -57.8 -37.29 73.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.643 -0.708 . . . . 1.21 111.833 -178.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -66.82 -49.1 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.971 0.415 . . . . 4.13 110.801 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -64.85 -34.94 79.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.806 -0.634 . . . . 1.96 111.283 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.412 ' HG3' ' HB3' ' B' ' 13' ' ' ALA . 4.0 tppp? -63.11 -42.29 99.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.95 -0.568 . . . . 2.4 111.818 -178.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.552 ' O ' ' HG3' ' B' ' 42' ' ' MET . 62.1 t -65.69 -42.46 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.634 -0.257 . . . . 1.22 111.345 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.11 -30.93 70.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.905 0.383 . . . . 1.68 109.974 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.21 -46.17 35.64 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.125 -0.489 . . . . 1.3 110.935 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.02 -25.34 20.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.264 0.554 . . . . 1.29 111.418 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.552 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 62.2 mtt -64.83 -20.86 66.63 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.806 -0.633 . . . . 1.2 110.478 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.01 -51.43 5.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.626 -0.715 . . . . 1.34 110.838 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.69 -51.13 68.31 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.696 0.76 . . . . 1.58 111.297 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.727 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -73.69 -14.55 61.17 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.943 -1.026 . . . . 1.76 112.339 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.82 43.33 5.51 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 107.607 -1.257 . . . . 1.3 107.607 -175.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.575 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.9 t80 -58.65 127.42 32.1 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.256 -0.884 . . . . 2.36 110.891 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.437 HG22 HD11 ' B' ' 48' ' ' ILE . 74.2 mt -136.34 105.3 9.34 Favored Pre-proline 0 N--CA 1.438 -1.028 0 N-CA-C 104.515 -2.402 . . . . 1.83 104.515 177.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -34.81 127.79 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.903 3.069 . . . . 0.79 114.881 -176.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -63.05 90.54 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.03 -0.986 . . . . 0.85 109.599 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -51.89 -22.74 4.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.843 1.053 . . . . 5.23 113.843 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 19.6 m -82.15 -57.06 3.56 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.126 -0.63 . . . . 0.75 110.666 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.52 74.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.791 -0.64 . . . . 1.34 110.382 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -71.04 -26.51 63.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 1.04 110.385 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -75.86 -21.73 56.92 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.105 -1.072 . . . . 3.01 108.105 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.02 -44.83 13.73 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.089 -1.414 . . . . 1.26 110.412 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 -2.94 18.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.199 0.444 . . . . 1.29 112.199 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.372 0 C-N-CA 120.426 -0.892 . . . . 1.6 113.858 179.313 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 ptm . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 110.205 -0.294 . . . . 7.3 110.205 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -104.08 130.49 23.29 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.617 0.246 . . . . 6.26 110.652 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.7 139.07 43.08 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.001 1.801 . . . . 2.2 110.886 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.543 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 26.9 t -105.94 167.76 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 106.469 -1.678 . . . . 1.47 106.469 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.4 p -139.08 165.18 27.81 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 118.042 0.383 . . . . 1.36 110.074 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.3 pt? -61.64 -16.87 52.43 Favored 'General case' 0 C--N 1.313 -0.986 0 O-C-N 124.238 0.961 . . . . 1.24 109.602 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -79.14 -41.25 28.96 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.061 -0.518 . . . . 0.82 110.152 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.87 -39.01 90.42 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.162 -1.051 . . . . 1.86 108.162 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 5' ' ' THR . 36.4 t -63.34 -47.16 93.28 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 112.512 -2.131 . . . . 1.31 109.411 178.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.433 ' HB1' ' HA ' ' A' ' 17' ' ' TYR . . . -64.16 -38.7 91.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.408 -0.814 . . . . 1.25 112.131 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -68.93 -45.28 71.22 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.304 -0.407 . . . . 2.41 110.835 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.402 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 40.5 t80 -72.54 -25.87 61.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.39 . . . . 2.57 111.694 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 9' ' ' VAL . . . -89.1 -16.74 30.77 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.218 -0.66 . . . . 1.32 109.218 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.52 41.16 66.72 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.565 -1.014 . . . . 0.72 110.565 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.1 m -131.16 -176.01 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 114.517 -0.841 . . . . 1.26 109.733 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -92.64 150.01 20.97 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 107.454 -1.313 . . . . 1.03 107.454 177.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.513 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.2 p90 -54.09 -39.46 66.38 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.772 -0.771 . . . . 2.26 110.611 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.501 ' NE2' ' N4 ' ' D' ' 15' ' ' ' DC' . 0.3 OUTLIER -54.71 -40.28 69.03 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.313 -0.403 . . . . 2.69 110.902 175.288 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.551 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 92.4 m -62.3 -41.34 98.44 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 116.149 -0.478 . . . . 1.18 109.824 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.6 ' O ' HG21 ' A' ' 24' ' ' VAL . 55.4 t -59.47 -52.73 57.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.27 -0.877 . . . . 1.28 110.307 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 11.8 m -61.06 -31.01 70.68 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.457 -0.338 . . . . 1.22 111.48 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.551 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 15.2 mtm180 -67.63 -30.51 70.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.988 -0.745 . . . . 3.12 108.988 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.631 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 66.7 t -81.51 -42.16 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 114.938 -1.028 . . . . 1.33 109.547 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.6 HG21 ' O ' ' A' ' 20' ' ' VAL . 21.4 t -61.55 -45.35 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.492 0.663 . . . . 1.37 109.933 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 21' ' ' SER . 2.1 m-80 -65.87 -33.08 75.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.131 -0.94 . . . . 1.24 110.922 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.631 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 6.4 mt-30 63.3 51.35 2.7 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.762 -0.654 . . . . 5.01 111.703 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.53 -160.69 0.73 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.253 0.549 . . . . 3.09 111.918 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.16 176.02 9.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.566 -0.743 . . . . 2.08 110.573 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.6 m170 65.51 31.51 10.09 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.733 0.778 . . . . 2.33 109.671 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 22' ' ' ARG . 76.4 t -137.83 124.88 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 114.883 -1.053 . . . . 1.54 109.21 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.4 p -85.47 146.43 26.95 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.459 -0.571 . . . . 1.42 109.459 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.34 -33.19 69.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.023 0.379 . . . . 1.68 112.023 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -57.66 -49.86 75.09 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.054 0.454 . . . . 3.58 111.458 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.437 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -69.55 -35.66 75.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.577 -0.283 . . . . 1.56 111.34 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.438 ' HG2' HG13 ' A' ' 23' ' ' VAL . 16.5 ttp180 -55.59 -46.54 77.25 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.222 0.453 . . . . 4.14 112.222 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 39.9 mt-10 -74.19 -28.43 61.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 113.094 0.776 . . . . 1.72 113.094 -177.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -79.59 -27.33 41.13 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.188 -0.605 . . . . 1.95 110.291 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.437 HG21 ' O ' ' A' ' 34' ' ' THR . 80.8 t -82.26 -39.85 16.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.571 0.701 . . . . 1.27 109.47 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.61 -29.25 70.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.374 -0.83 . . . . 1.7 109.244 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -69.8 -40.42 75.97 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.817 -1.083 . . . . 1.38 110.771 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.73 -36.78 85.39 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.539 -0.755 . . . . 1.24 111.411 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.424 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 24.3 mtt -64.43 -24.97 67.81 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.012 -0.54 . . . . 1.29 111.945 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.3 -34.74 28.51 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.712 0.767 . . . . 1.33 109.72 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 69.7 mm-40 -67.37 -56.47 9.56 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.091 -1.413 . . . . 1.55 112.838 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -85.8 -9.7 56.65 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.186 -1.37 . . . . 2.37 112.159 -177.37 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.4 m120 66.12 61.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 123.675 0.609 . . . . 2.34 109.756 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.543 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.1 t80 -78.89 124.44 28.24 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.955 -0.566 . . . . 2.17 111.902 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 mp -111.77 111.95 53.79 Favored Pre-proline 0 N--CA 1.45 -0.471 0 CA-C-N 115.664 -0.698 . . . . 1.99 109.423 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.05 125.07 14.54 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.93 2.42 . . . . 0.78 112.604 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -76.71 101.73 5.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.807 -0.633 . . . . 0.69 111.112 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -62.51 -22.58 66.39 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.355 -0.384 . . . . 4.93 112.018 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.451 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -80.27 -29.94 38.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.258 0.551 . . . . 0.7 109.777 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HB3' HD11 ' B' ' 56' ' ' LEU . . . -76.37 -40.46 50.98 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.095 -0.706 . . . . 1.2 109.095 177.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -61.35 -27.81 68.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.076 -0.965 . . . . 1.82 109.538 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -83.26 -30.7 27.43 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.473 -0.785 . . . . 3.08 110.235 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 tp -69.0 -43.69 74.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.063 -0.517 . . . . 1.24 110.199 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.67 -24.9 25.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.603 -0.726 . . . . 1.23 111.719 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.96 116.26 4.22 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.383 -0.687 . . . . 1.86 111.383 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' HZ2' ' P ' ' C' ' 11' ' ' ' DG' . 9.5 mmpt? -73.6 119.41 17.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.329 0.585 . . . . 6.73 112.154 -178.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 52.64 46.29 27.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.513 -1.221 . . . . 7.37 111.94 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.2 m -77.09 -43.69 33.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.024 0.44 . . . . 7.76 109.89 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 117.965 -1.017 . . . . 9.67 108.721 178.683 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.4 tpp . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.838 -0.43 . . . . 6.87 109.838 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -75.02 -48.01 4.56 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 112.557 0.577 . . . . 5.86 112.557 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -74.24 142.94 31.13 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.743 1.628 . . . . 2.12 111.032 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.591 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 55.2 t -71.24 158.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.51 -0.313 . . . . 1.33 110.909 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.879 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 10.7 p -127.73 157.35 40.57 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.029 0.442 . . . . 1.29 110.159 -177.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.445 ' HG ' ' CG2' ' B' ' 20' ' ' VAL . 0.9 OUTLIER -55.04 -27.55 45.45 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 121.276 -0.89 . . . . 1.29 111.428 177.578 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.521 ' CE2' " H2'" ' C' ' 12' ' ' ' DG' . 26.2 m-85 -66.19 -35.76 81.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.702 -0.681 . . . . 2.01 110.021 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -69.51 -35.39 75.46 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.34 0.591 . . . . 1.45 109.8 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.482 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 43.7 t -68.17 -43.3 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.938 -1.028 . . . . 1.22 111.008 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.488 ' HB3' ' CG1' ' B' ' 20' ' ' VAL . . . -60.87 -52.02 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 1.12 110.766 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -59.12 -49.06 79.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.214 -0.903 . . . . 2.46 111.834 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -60.02 -51.06 71.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.717 0.636 . . . . 2.19 112.717 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.598 ' O ' ' HD3' ' B' ' 37' ' ' LYS . . . -68.01 -16.9 64.25 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 120.681 0.276 . . . . 1.26 111.031 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.14 46.26 8.35 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.942 -1.123 . . . . 1.09 112.44 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.403 HG12 HG21 ' B' ' 19' ' ' THR . 7.8 m -133.41 170.44 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 109.054 -0.721 . . . . 1.25 109.054 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 62.7 p -70.82 158.98 35.42 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.296 -1.002 . . . . 1.31 108.296 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -14.11 62.09 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.911 0.386 . . . . 2.42 111.503 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -85.71 -33.56 21.47 Favored 'General case' 0 CA--C 1.516 -0.347 0 O-C-N 121.155 -0.966 . . . . 1.44 108.571 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.403 HG21 HG12 ' B' ' 15' ' ' VAL . 53.0 m -56.15 -44.63 79.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.376 -1.284 . . . . 1.22 111.203 179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' B' ' 10' ' ' ALA . 7.7 p -61.8 -46.82 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.16 0 C-N-CA 120.956 -0.298 . . . . 1.78 110.633 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 43.1 m -61.26 -47.07 87.73 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 108.444 -0.947 . . . . 1.13 108.444 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 22' ' ' ARG . 24.2 mtm-85 -50.96 -42.05 59.7 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.478 -1.237 . . . . 3.37 112.354 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 66.7 t -71.54 -36.19 59.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.283 0.564 . . . . 1.37 110.14 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.9 t -66.75 -30.35 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 CA-C-N 115.717 -0.674 . . . . 1.33 110.677 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.472 HD22 ' P ' ' C' ' 14' ' ' ' DT' . 10.9 m-80 -92.78 -1.46 56.78 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.418 -0.356 . . . . 1.3 110.947 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 55.39 42.77 29.76 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.292 0.567 . . . . 4.39 110.124 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.74 158.61 24.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.534 -0.757 . . . . 2.82 111.826 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -82.43 -17.51 45.11 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.388 0.613 . . . . 1.96 111.284 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.431 ' HA ' ' OP2' ' D' ' 3' ' ' ' DT' . 49.3 m170 -85.08 39.27 0.76 Allowed 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.552 -0.749 . . . . 1.64 109.767 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -135.56 130.05 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.287 0.565 . . . . 1.61 111.526 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.469 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 49.3 m -77.97 157.46 29.68 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.064 -0.971 . . . . 1.09 109.577 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.53 -54.56 42.48 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.107 0.48 . . . . 1.64 111.75 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -52.18 -55.49 20.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.449 -0.796 . . . . 3.67 110.524 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.469 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -53.4 -39.09 64.01 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.718 -0.674 . . . . 1.21 111.654 -179.486 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -68.31 -43.13 78.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.181 0.515 . . . . 4.13 111.074 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -71.04 -31.28 67.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.726 -0.67 . . . . 1.96 111.215 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.598 ' HD3' ' O ' ' B' ' 13' ' ' ALA . 16.2 ttmm -64.67 -48.49 74.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.532 0.682 . . . . 2.4 110.557 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.567 ' O ' ' HG3' ' B' ' 42' ' ' MET . 96.5 t -69.83 -35.42 64.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.29 -0.868 . . . . 1.22 111.615 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -70.72 -31.12 67.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.865 0.364 . . . . 1.68 110.352 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.97 -45.97 54.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.02 -0.536 . . . . 1.3 110.006 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.23 -27.38 34.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.23 -0.895 . . . . 1.29 110.976 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.567 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 51.0 mtt -64.44 -19.87 65.81 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.001 -0.545 . . . . 1.2 111.586 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.39 -53.38 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 1.34 110.408 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.28 -50.47 72.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.13 -0.941 . . . . 1.58 110.381 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.525 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -69.45 -22.99 63.61 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.939 -1.028 . . . . 1.76 112.212 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.53 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.9 OUTLIER 62.89 43.28 6.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.107 -1.442 . . . . 1.3 107.107 -175.222 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.591 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.2 t80 -54.55 122.04 9.7 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.678 -1.146 . . . . 2.36 110.675 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.53 HG12 ' O ' ' B' ' 46' ' ' ASN . 13.6 mm -133.58 97.01 16.22 Favored Pre-proline 0 N--CA 1.435 -1.212 0 N-CA-C 104.02 -2.585 . . . . 1.83 104.02 178.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.448 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 1.2 Cg_exo -30.52 129.55 0.06 OUTLIER 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 125.078 3.852 . . . . 0.79 115.789 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.442 HD21 " H5'" ' C' ' 12' ' ' ' DG' . 60.2 t-20 -67.68 86.38 0.21 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.452 -0.795 . . . . 0.85 111.206 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -24.93 0.86 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.814 1.042 . . . . 5.23 113.814 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.451 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.1 m -76.88 -57.49 3.82 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 121.761 -0.587 . . . . 0.75 111.348 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.418 ' HB2' " H4'" ' C' ' 12' ' ' ' DG' . . . -74.19 -37.08 64.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.954 -0.566 . . . . 1.34 110.628 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.448 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 6.0 mt-30 -58.84 -39.43 81.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 1.04 112.054 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.6 -48.15 67.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.442 -1.318 . . . . 3.01 107.442 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.456 HD11 ' HB3' ' A' ' 53' ' ' ALA . 1.1 tp -53.64 -42.02 67.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.141 -0.936 . . . . 1.26 111.121 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.75 -5.16 57.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.584 -0.28 . . . . 1.29 111.369 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 161.92 -74.79 0.19 Allowed Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.227 -0.987 . . . . 1.6 113.739 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -149.79 170.23 19.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.572 -0.369 . . . . 5.31 110.471 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -82.67 9.98 8.43 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.867 0.321 . . . . 7.24 111.867 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.36 -68.28 0.39 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.164 0.506 . . . . 6.58 109.943 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.559 -0.734 . . . . 8.7 109.288 179.347 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.499 -1.558 0 C3'-C2'-C1' 99.085 -2.582 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . 0.413 ' C6 ' ' N6 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.049 0 C3'-C2'-C1' 99.37 -2.379 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.451 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-C2' 103.634 -2.242 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.457 ' C4 ' ' C4 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-C2' 103.8 -2.091 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.523 ' C2 ' ' C5 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C3'-C2'-C1' 99.265 -2.454 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.523 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.165 0 O4'-C1'-C2' 103.987 -1.921 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.48 ' H73' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.081 0 C3'-C2'-C1' 99.732 -2.12 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 C3'-C2'-C1' 99.38 -2.372 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.891 0 C3'-C2'-C1' 99.595 -2.218 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . 0.425 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 98.737 -2.831 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.49 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.773 0 O4'-C1'-C2' 103.881 -2.017 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.49 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.5 -1.482 0 C3'-C2'-C1' 99.024 -2.625 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.879 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.588 -1.622 0 C3'-C2'-C1' 99.868 -2.023 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C3'-C2'-C1' 99.458 -2.316 . . . . 0.55 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.472 ' P ' HD22 ' B' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C3'-C2'-C1' 100.104 -1.855 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . 0.427 " H1'" " H5'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.852 0 O4'-C1'-C2' 104.175 -1.75 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.432 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.885 0 O4'-C1'-C2' 103.896 -2.004 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.432 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.502 -1.332 0 C3'-C2'-C1' 99.868 -2.023 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.888 0 C3'-C2'-C1' 99.831 -2.049 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.409 ' C8 ' ' H73' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.795 0 C3'-C2'-C1' 100.023 -1.912 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.472 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-C1' 99.665 -2.168 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.472 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.181 0 C3'-C2'-C1' 99.641 -2.185 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.441 ' H72' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.925 0 C3'-C2'-C1' 99.19 -2.507 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.967 0 C4'-C3'-C2' 101.886 -1.314 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.451 ' C6 ' ' N6 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.433 -0.446 0 C4'-C3'-C2' 102.067 -1.133 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.524 ' C8 ' ' H71' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.62 0 C5'-C4'-C3' 117.068 1.579 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.567 ' C6 ' ' H73' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C3'-C2'-C1' 104.141 1.029 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.567 ' H73' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.41 -0.76 0 C4'-C3'-C2' 104.48 1.28 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.498 ' C8 ' ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 C5'-C4'-C3' 118.073 2.249 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.498 ' H71' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 P--O3' 1.619 0.976 0 O4'-C1'-C2' 107.112 0.92 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.436 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C3'-C2'-C1' 104.718 1.442 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.515 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C3'-C2'-C1' 104.915 1.582 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.515 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C5'-C4'-O4' 108.569 -0.519 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.4 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 C3'-C2'-C1' 104.699 1.428 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.523 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 105.363 1.902 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.523 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C3'-C2'-C1' 100.685 -1.439 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.451 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C5'-C4'-C3' 117.729 2.02 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.485 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.621 1.155 0 C5'-C4'-O4' 108.008 -0.87 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.501 ' N4 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 C3'-C2'-C1' 105.051 1.679 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.527 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C5'-C4'-C3' 115.914 0.809 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.527 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.05 0 C5'-C4'-O4' 107.977 -0.89 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.512 ' C6 ' ' N6 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C4'-C3'-C2' 102.045 -1.155 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.512 ' N6 ' ' C6 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 P--O3' 1.618 0.904 0 C5'-C4'-C3' 115.932 0.821 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.478 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C5'-C4'-O4' 108.594 -0.504 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C5'-C4'-C3' 116.216 1.011 . . . . 1.82 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 107.141 0.946 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 109.804 -0.443 . . . . 7.3 109.804 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 2' ' ' LYS . 5.9 mtpt -111.58 126.39 28.66 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 110.111 -0.329 . . . . 6.26 110.111 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -63.98 164.15 23.04 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.641 1.561 . . . . 2.2 111.308 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 45' ' ' LEU . 59.0 t -112.53 123.19 67.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 109.247 -0.649 . . . . 1.47 109.247 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.626 HG22 ' OP1' ' D' ' 12' ' ' ' DG' . 3.7 p -91.34 166.7 12.77 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 113.433 0.901 . . . . 1.36 113.433 -177.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.8 -16.32 64.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.058 -1.428 . . . . 1.24 109.362 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -79.01 -38.76 35.84 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.386 -0.598 . . . . 0.82 109.386 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.7 -41.3 96.12 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 107.31 -1.367 . . . . 1.86 107.31 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 44.2 t -62.37 -46.09 97.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 112.549 -2.114 . . . . 1.31 109.634 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -62.98 -39.34 94.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.82 -0.627 . . . . 1.25 111.773 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -66.78 -49.09 67.02 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.635 -0.711 . . . . 2.41 110.394 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.418 ' HB3' HD11 ' A' ' 45' ' ' LEU . 39.1 t80 -68.67 -22.55 64.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 2.57 111.165 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 9' ' ' VAL . . . -91.78 -16.99 26.03 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.643 -0.503 . . . . 1.32 109.643 -178.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.18 41.49 46.79 Favored Glycine 0 CA--C 1.5 -0.904 0 N-CA-C 110.319 -1.113 . . . . 0.72 110.319 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.0 m -137.69 -174.58 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 CA-C-N 114.582 -0.809 . . . . 1.26 109.003 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.1 m -89.53 171.33 9.78 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.72 -0.845 . . . . 1.03 108.72 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.404 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 49.3 p90 -74.71 -36.04 62.71 Favored 'General case' 0 C--N 1.311 -1.09 0 C-N-CA 119.198 -1.001 . . . . 2.26 109.459 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.602 ' HG2' ' N4 ' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -67.83 -25.65 65.66 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.165 -0.925 . . . . 2.69 110.747 176.429 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -64.56 -46.25 83.59 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.624 -0.88 . . . . 1.18 108.624 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.731 ' O ' HG22 ' A' ' 24' ' ' VAL . 92.8 t -57.81 -50.83 76.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.041 -1.436 . . . . 1.28 110.997 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.3 t -63.59 -28.77 70.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.534 -0.757 . . . . 1.22 110.487 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -68.75 -31.84 71.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.726 -0.67 . . . . 3.12 109.285 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.6 t -82.72 -43.42 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.057 0.456 . . . . 1.33 110.536 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 20' ' ' VAL . 16.2 t -60.46 -50.07 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.563 -0.744 . . . . 1.37 111.403 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -76.91 -37.85 54.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.295 -0.866 . . . . 1.24 113.224 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.594 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 24.1 mt-30 -125.79 -104.77 0.34 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.921 -0.399 . . . . 5.01 109.921 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.594 ' HB1' ' O ' ' A' ' 26' ' ' GLN . . . 151.44 -35.37 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 124.978 1.424 . . . . 3.09 109.804 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.58 160.6 29.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.741 -1.118 . . . . 2.08 110.927 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 68.3 19.59 8.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.768 -0.651 . . . . 2.33 110.653 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 t -131.79 126.31 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 115.592 -0.731 . . . . 1.54 109.613 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.614 ' HG ' " H3'" ' C' ' 3' ' ' ' DT' . 56.5 m -59.73 136.73 58.09 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.346 -0.843 . . . . 1.42 109.745 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -54.31 -37.32 64.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.068 -0.515 . . . . 1.68 110.575 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -56.43 -43.8 79.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.659 -0.701 . . . . 3.58 111.136 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -86.12 -40.26 15.87 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.005 -0.543 . . . . 1.56 111.834 -178.412 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 17.4 ttm180 -55.07 -53.62 53.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.004 -0.544 . . . . 4.14 112.215 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 21.3 mt-10 -70.49 -17.86 62.97 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.471 -0.786 . . . . 1.72 110.459 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -84.45 -30.02 25.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.36 -0.607 . . . . 1.95 109.36 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.544 HG11 HG23 ' A' ' 20' ' ' VAL . 54.1 t -76.16 -43.47 37.67 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 109.461 -0.57 . . . . 1.27 109.461 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 44.7 mt-10 -60.55 -31.9 70.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.971 -1.013 . . . . 1.7 109.212 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -70.7 -36.14 73.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.717 -1.129 . . . . 1.38 110.331 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.86 -34.7 79.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.874 -0.603 . . . . 1.24 110.462 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 40.3 mtt -61.79 -26.3 68.01 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.742 -0.663 . . . . 1.29 111.727 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.67 -34.96 21.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.27 0.557 . . . . 1.33 110.136 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 22.6 mm-40 -65.33 -58.6 5.5 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.784 -1.098 . . . . 1.55 111.86 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.575 ' O ' HG23 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -81.47 -10.63 59.45 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.495 -1.229 . . . . 2.37 112.032 -178.311 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.471 ' O ' HD13 ' A' ' 48' ' ' ILE . 22.8 m-80 67.76 64.93 0.38 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.515 0.674 . . . . 2.34 109.342 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 13.8 t80 -78.66 120.0 22.72 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.142 -0.936 . . . . 2.17 111.18 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.471 HD13 ' O ' ' A' ' 46' ' ' ASN . 2.5 mp -113.44 108.62 52.0 Favored Pre-proline 0 N--CA 1.44 -0.926 0 CA-C-N 115.227 -0.897 . . . . 1.99 108.675 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -55.9 116.29 3.06 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.553 2.168 . . . . 0.78 112.416 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -67.81 103.05 1.34 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 116.287 -0.415 . . . . 0.69 110.044 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 1.5 mpt_? -61.91 -31.08 71.35 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.237 -0.438 . . . . 4.93 111.558 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -35.46 71.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.635 -0.505 . . . . 0.7 109.635 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.495 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -71.19 -42.2 69.33 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.063 -0.717 . . . . 1.2 109.063 178.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -59.54 -39.56 84.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.404 -1.271 . . . . 1.82 109.248 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -69.48 -36.1 76.21 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.296 0.569 . . . . 3.08 109.812 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.485 HD22 HD22 ' B' ' 56' ' ' LEU . 7.1 tp -64.48 -47.2 79.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.434 -0.803 . . . . 1.24 110.534 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.42 -18.07 55.49 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.711 -0.677 . . . . 1.23 111.698 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.11 -124.63 4.79 Favored Glycine 0 N--CA 1.432 -1.594 0 C-N-CA 120.828 -0.701 . . . . 1.86 111.691 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -106.89 148.31 28.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.801 0.667 . . . . 6.73 112.801 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -111.58 143.65 42.1 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.591 -0.732 . . . . 7.37 110.079 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m 60.63 79.45 0.24 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.996 0.81 . . . . 7.76 112.345 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.345 -0.836 . . . . 9.67 110.37 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ttp . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.319 -0.252 . . . . 6.87 110.319 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 19.1 tptt -120.22 94.8 48.91 Favored Pre-proline 0 N--CA 1.446 -0.627 0 N-CA-C 109.841 -0.429 . . . . 5.86 109.841 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.68 131.9 19.37 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.757 2.305 . . . . 2.12 110.473 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.672 HG21 ' O ' ' B' ' 45' ' ' LEU . 65.0 t -79.27 154.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.912 -0.403 . . . . 1.33 109.912 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.548 HG22 ' OP1' ' C' ' 12' ' ' ' DG' . 16.7 p -134.87 164.08 28.38 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.786 -0.643 . . . . 1.29 111.436 -177.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.466 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 1.3 tt -59.9 -22.78 62.82 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.2 0.524 . . . . 1.29 111.368 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.584 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 18.2 m-85 -72.47 -40.73 66.75 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.243 -0.889 . . . . 2.01 110.466 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -66.41 -36.43 82.81 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.703 -0.68 . . . . 1.45 109.638 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.452 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 53.6 t -65.23 -40.77 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 114.658 -1.156 . . . . 1.22 109.609 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -53.4 58.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.546 -0.752 . . . . 1.12 110.889 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.72 -47.99 80.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.156 -0.929 . . . . 2.46 111.552 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -63.99 -49.76 71.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.09 -0.505 . . . . 2.19 111.851 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.78 -19.98 65.86 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.325 0.491 . . . . 1.26 112.325 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.72 50.44 5.62 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 110.668 -0.973 . . . . 1.09 110.668 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -145.26 168.95 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 N-CA-C 108.59 -0.893 . . . . 1.25 108.59 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.506 ' O ' ' HB ' ' B' ' 19' ' ' THR . 72.2 m -76.59 153.36 35.39 Favored 'General case' 0 N--CA 1.423 -1.79 0 N-CA-C 109.187 -0.672 . . . . 1.31 109.187 177.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -43.11 87.9 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 121.281 -0.168 . . . . 2.42 110.686 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -34.45 69.7 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.231 0.538 . . . . 1.44 111.162 177.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' B' ' 16' ' ' SER . 97.4 m -57.31 -40.94 78.91 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.749 0.785 . . . . 1.22 110.722 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.491 HG11 ' CG1' ' B' ' 38' ' ' VAL . 3.7 t -65.01 -46.29 91.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 114.208 -1.36 . . . . 1.78 110.72 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -58.0 -49.19 77.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.088 0.947 . . . . 1.13 108.459 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -57.02 -38.11 72.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.304 -1.316 . . . . 3.37 111.824 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.419 HG12 ' HG3' ' B' ' 35' ' ' ARG . 24.7 t -75.49 -40.17 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-O 120.777 0.322 . . . . 1.37 110.624 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.29 -36.28 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.037 -0.528 . . . . 1.33 110.56 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -86.09 -5.84 59.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.22 -0.445 . . . . 1.3 111.198 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 54.15 44.29 29.38 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.424 0.631 . . . . 4.39 109.934 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.88 179.62 6.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.31 -0.859 . . . . 2.82 110.952 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 0.8 OUTLIER -79.36 167.8 20.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.739 . . . . 1.96 110.834 178.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' B' ' 28' ' ' SER . 62.5 m170 67.95 33.72 4.52 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.658 0.742 . . . . 1.64 110.002 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.47 110.17 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.582 -0.735 . . . . 1.61 110.872 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.525 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 64.4 m -61.43 151.85 31.43 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.805 -0.634 . . . . 1.09 109.815 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.13 -51.34 58.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 111.918 0.34 . . . . 1.64 111.918 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.669 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 56.2 mtmt -53.4 -57.97 8.76 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 123.496 0.497 . . . . 3.67 111.115 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.597 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -52.97 -34.93 58.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.865 -0.607 . . . . 1.21 111.553 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.419 ' HG3' HG12 ' B' ' 23' ' ' VAL . 11.3 ttm180 -65.27 -42.95 92.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.219 0.533 . . . . 4.13 110.329 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.03 -41.56 86.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.887 -1.051 . . . . 1.96 111.247 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.669 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 25.3 mtpp -60.39 -39.45 87.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.677 -0.692 . . . . 2.4 111.044 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.597 HG21 ' O ' ' B' ' 34' ' ' THR . 94.4 t -69.46 -39.92 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 115.758 -0.656 . . . . 1.22 110.991 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -71.78 -32.26 67.47 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.289 0.566 . . . . 1.68 109.777 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.0 76.85 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.605 -0.725 . . . . 1.3 109.585 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.29 -28.86 60.12 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.585 -0.734 . . . . 1.29 112.024 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 42.4 mtt -63.66 -20.72 65.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.466 -0.788 . . . . 1.2 109.776 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.17 -49.43 7.75 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.817 -0.629 . . . . 1.34 110.656 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -59.63 -42.02 91.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.75 0.786 . . . . 1.58 111.066 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.672 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -78.19 -19.25 54.26 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.786 -1.097 . . . . 1.76 111.293 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.25 43.32 4.9 Favored 'General case' 0 C--N 1.34 0.183 0 N-CA-C 107.052 -1.462 . . . . 1.3 107.052 -175.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.576 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 t80 -56.94 123.38 14.93 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.759 -1.109 . . . . 2.36 111.632 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mt -135.55 98.98 11.95 Favored Pre-proline 0 N--CA 1.435 -1.193 0 N-CA-C 104.001 -2.592 . . . . 1.83 104.001 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.603 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.7 OUTLIER -30.0 128.86 0.06 OUTLIER 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 125.19 3.927 . . . . 0.79 115.409 -176.357 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.416 HD21 " C5'" ' C' ' 12' ' ' ' DG' . 35.6 t-20 -63.65 87.35 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.387 -1.279 . . . . 0.85 111.325 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.629 ' HG2' ' OE1' ' B' ' 60' ' ' GLN . 0.0 OUTLIER -47.38 -29.23 2.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.905 0.882 . . . . 5.23 112.739 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 66.9 m -75.42 -60.78 2.15 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 120.418 -0.513 . . . . 0.75 112.1 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.19 -34.57 63.79 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.774 -0.648 . . . . 1.34 112.135 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.603 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 11.0 mt-30 -66.5 -30.79 71.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.426 -0.352 . . . . 1.04 110.536 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.606 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -82.29 -20.41 37.54 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.083 -0.71 . . . . 3.01 109.083 179.036 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.485 HD22 HD22 ' A' ' 56' ' ' LEU . 1.7 tp -81.97 -46.47 13.96 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.301 -0.863 . . . . 1.26 109.943 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.16 -0.06 8.88 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.903 0.881 . . . . 1.29 112.772 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.19 -79.74 0.12 Allowed Glycine 0 CA--C 1.505 -0.539 0 C-N-CA 120.376 -0.916 . . . . 1.6 112.499 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.481 ' HZ1' ' HB3' ' B' ' 59' ' ' LYS . 3.2 ttpm? -170.68 149.09 3.09 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.995 -0.372 . . . . 5.31 109.995 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.629 ' OE1' ' HG2' ' B' ' 51' ' ' ARG . 1.1 tm0? -161.51 122.76 2.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 123.602 0.564 . . . . 7.24 109.955 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.28 28.53 8.69 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.588 -0.445 . . . . 6.58 111.133 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.409 -0.805 . . . . 8.7 110.49 -179.899 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.499 -1.561 0 C3'-C2'-C1' 99.299 -2.43 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.288 0 C3'-C2'-C1' 99.264 -2.454 . . . . 2.25 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.457 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-C2' 103.827 -2.067 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.614 " H3'" ' HG ' ' A' ' 31' ' ' SER . . . . . . . . 0 C2'--C1' 1.509 -0.891 0 O4'-C1'-C2' 103.832 -2.062 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.456 " H5'" " H1'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.991 0 C3'-C2'-C1' 99.559 -2.244 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.479 ' C2 ' ' C2 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.065 0 O4'-C1'-C2' 103.996 -1.913 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.471 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.51 -0.815 0 C3'-C2'-C1' 99.683 -2.155 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.511 -0.721 0 C3'-C2'-C1' 99.262 -2.456 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 99.156 -2.531 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . 0.547 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.598 -0.738 0 C3'-C2'-C1' 98.808 -2.78 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.547 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.837 0 O4'-C1'-C2' 103.963 -1.943 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.471 ' O6 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.493 -2.013 0 C3'-C2'-C1' 98.032 -3.335 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.584 " H2'" ' CE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 C2'--C1' 1.497 -1.728 0 C3'-C2'-C1' 99.849 -2.037 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.444 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.991 0 C5'-C4'-C3' 118.602 2.601 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.85 0 C3'-C2'-C1' 100.043 -1.898 . . . . 1.18 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.963 0 C5'-C4'-C3' 117.61 1.94 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.492 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.227 0 C3'-C2'-C1' 99.981 -1.942 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.492 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.99 0 C3'-C2'-C1' 99.669 -2.165 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.516 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.503 -1.284 0 C3'-C2'-C1' 99.783 -2.084 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.478 " H1'" " H5'" ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.805 0 C3'-C2'-C1' 99.83 -2.05 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.478 " H5'" " H1'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.819 0 C3'-C2'-C1' 99.669 -2.165 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.429 ' C6 ' ' H73' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 C3'-C2'-C1' 99.327 -2.409 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.429 ' H73' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.201 0 C3'-C2'-C1' 99.285 -2.439 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . 0.409 " H1'" " H5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.131 0 O5'-P-OP1 106.137 -0.677 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.409 " H5'" " H1'" ' D' ' -1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-C2' 102.119 -1.081 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.518 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C1'-C2' 107.443 1.221 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.518 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 P--O3' 1.614 0.546 0 C3'-C2'-C1' 104.29 1.135 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.54 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.526 0.751 0 C3'-C2'-C1' 105.264 1.832 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.613 ' C8 ' ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C4'-C3'-C2' 104.312 1.112 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.613 ' H72' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 107.461 1.238 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.474 " H5'" H2'' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 107.487 1.261 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.558 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 O4'-C1'-C2' 107.216 1.015 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.558 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.41 -0.763 0 O4'-C4'-C3' 106.663 1.063 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.421 ' C6 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 O4'-C1'-C2' 107.317 1.106 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.433 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.974 1.704 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.626 ' OP1' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.511 -0.713 0 C5'-C4'-C3' 115.48 0.52 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.499 ' C4 ' ' C5 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.153 0 C3'-C2'-C1' 104.753 1.466 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.424 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C5'-C4'-O4' 107.528 -1.17 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.602 ' N4 ' ' HG2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 C3'-C2'-C1' 105.092 1.709 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.475 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.687 0 C5'-C4'-C3' 115.77 0.713 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.475 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.433 -0.434 0 C3'-C2'-C1' 104.035 0.954 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.479 ' C2 ' ' C2 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 P--O3' 1.616 0.781 0 O4'-C1'-N19 108.496 0.87 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.444 H2'' " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 N19-C1'-C2' 112.849 -0.845 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.525 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.597 -0.861 0 C1'-O4'-C4' 110.918 0.87 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.525 " H5'" " H1'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 N19-C1'-C2' 115.838 1.024 . . . . 1.82 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 C4'-C3'-C2' 101.96 -1.24 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mmm . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.819 -0.437 . . . . 7.3 109.819 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.51 148.41 93.9 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 110.034 -0.358 . . . . 6.26 110.034 179.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.21 129.6 13.25 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.874 2.383 . . . . 2.2 112.911 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.45 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 16.8 t -112.98 175.03 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 N-CA-C 107.728 -1.212 . . . . 1.47 107.728 178.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.4 p -131.98 159.15 39.57 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.753 -0.832 . . . . 1.36 108.753 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.35 -19.66 64.83 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 121.712 -0.617 . . . . 1.24 110.364 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -72.29 -42.41 65.54 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.925 -0.58 . . . . 0.82 109.451 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -57.84 -32.37 67.55 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 122.727 1.251 . . . . 1.86 108.564 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.642 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 42.1 t -75.63 -44.1 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 CA-C-N 113.272 -1.786 . . . . 1.31 109.336 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 17' ' ' TYR . . . -63.93 -45.41 89.34 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.572 -0.74 . . . . 1.25 111.946 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.17 -54.73 40.73 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.469 0.652 . . . . 2.41 110.815 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -62.13 -28.55 69.71 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.638 -0.71 . . . . 2.57 112.389 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 9' ' ' VAL . . . -83.13 -27.5 30.08 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 121.788 -0.57 . . . . 1.32 111.474 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.23 34.31 7.19 Favored Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 109.725 -1.35 . . . . 0.72 109.725 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.483 HG11 HG22 ' A' ' 34' ' ' THR . 18.2 m -137.97 -179.41 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-O 121.357 0.599 . . . . 1.26 111.221 -177.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -90.24 147.6 23.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.268 -0.878 . . . . 1.03 108.963 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 34.2 p90 -49.96 -42.64 49.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.327 0.584 . . . . 2.26 111.023 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HB2' ' H71' ' C' ' 6' ' ' ' DT' . 0.0 OUTLIER -60.39 -29.49 68.99 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.267 0.556 . . . . 2.69 111.037 178.379 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 m -66.03 -45.39 81.61 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.828 0.823 . . . . 1.18 109.669 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.504 ' HA ' HG12 ' A' ' 38' ' ' VAL . 89.0 t -57.24 -44.94 84.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 114.043 -1.435 . . . . 1.28 110.444 177.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.531 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 47.0 t -67.32 -27.67 67.35 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.781 -0.645 . . . . 1.22 110.919 -178.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -73.73 -28.51 61.74 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.31 -0.556 . . . . 3.12 110.097 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.3 t -83.37 -43.97 18.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 120.865 0.364 . . . . 1.33 110.078 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 20' ' ' VAL . 55.4 t -64.5 -48.26 85.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.335 0.588 . . . . 1.37 110.832 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.531 ' HB2' ' O ' ' A' ' 21' ' ' SER . 35.8 m-20 -75.24 -38.94 60.34 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.024 0.75 . . . . 1.24 113.024 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.628 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -149.95 -109.88 0.07 Allowed 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.86 -0.525 . . . . 5.01 109.665 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 166.53 -21.85 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.4 0.619 . . . . 3.09 111.379 -178.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 0.4 OUTLIER -65.53 150.5 48.29 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.848 -0.615 . . . . 2.08 110.695 -178.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 28' ' ' SER . 4.1 m-70 70.0 23.18 5.5 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.707 0.765 . . . . 2.33 109.359 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 27' ' ' ALA . 48.5 t -141.22 132.85 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-N 114.681 -1.145 . . . . 1.54 108.103 178.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.65 155.32 40.69 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.014 -1.106 . . . . 1.42 108.014 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.8 -7.81 47.9 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 113.234 0.827 . . . . 1.68 113.234 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -84.95 -43.91 13.6 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.453 -0.943 . . . . 3.58 108.453 -175.843 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.563 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -70.53 -22.59 62.6 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.714 -1.13 . . . . 1.56 112.3 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -62.05 2.15 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.22 -0.3 . . . . 4.14 111.455 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.14 -26.72 64.98 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.018 0.748 . . . . 1.72 113.018 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.619 ' HD3' ' O ' ' A' ' 13' ' ' ALA . 8.4 ptpt -77.36 -26.92 52.41 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.103 -1.039 . . . . 1.95 109.538 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.563 HG21 ' O ' ' A' ' 34' ' ' THR . 55.0 t -79.07 -37.51 19.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 114.803 -1.089 . . . . 1.27 108.177 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -78.89 -2.3 39.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.251 -1.018 . . . . 1.7 108.251 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.64 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -91.31 -50.29 5.9 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 106.385 -1.709 . . . . 1.38 106.385 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.25 82.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 113.657 -1.61 . . . . 1.24 113.479 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.506 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 1.7 ptp -76.0 -19.8 58.38 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.14 -0.624 . . . . 1.29 110.272 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.3 -17.77 31.7 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.182 -0.917 . . . . 1.33 110.737 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.64 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 56.5 mm-40 -91.64 -55.64 3.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 123.526 1.632 . . . . 1.55 110.147 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.26 -1.3 40.18 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 111.74 -2.482 . . . . 2.37 112.437 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.541 ' O ' HD12 ' A' ' 48' ' ' ILE . 8.1 m120 56.85 59.44 3.5 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.6 0.714 . . . . 2.34 110.056 -178.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.45 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.8 t80 -76.88 122.89 25.48 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.997 -1.001 . . . . 2.17 109.248 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 46' ' ' ASN . 3.9 mp -108.85 109.53 61.11 Favored Pre-proline 0 N--CA 1.444 -0.74 0 N-CA-C 108.592 -0.892 . . . . 1.99 108.592 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -46.95 123.27 7.15 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.044 2.496 . . . . 0.78 110.962 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.597 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 6.1 m-20 -74.23 113.9 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.506 0.669 . . . . 0.69 110.222 -178.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -79.14 -20.25 49.04 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.168 -0.924 . . . . 4.93 111.175 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.14 -56.18 4.68 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 110.4 -0.222 . . . . 0.7 110.4 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -58.81 -46.13 88.35 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.6 -0.519 . . . . 1.2 109.6 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.597 ' HB3' ' O ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -47.96 -39.36 19.14 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.753 -1.112 . . . . 1.82 111.049 177.035 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.418 ' HB3' ' NE2' ' A' ' 60' ' ' GLN . 26.9 mm-40 -82.32 -18.62 41.6 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.349 -0.387 . . . . 3.08 110.854 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 tp -76.17 -52.61 9.72 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 108.878 -0.786 . . . . 1.24 108.878 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.36 -56.04 24.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.842 -1.072 . . . . 1.23 111.203 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.79 134.53 43.97 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 118.949 -1.596 . . . . 1.86 111.065 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -70.6 90.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 117.082 0.441 . . . . 6.73 111.175 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 55' ' ' GLN . 10.4 pt20 -88.07 -23.52 23.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.935 -0.575 . . . . 7.37 110.538 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 m 68.15 154.32 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.345 -0.843 . . . . 7.76 111.794 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.544 -0.741 . . . . 9.67 109.775 -178.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.1 tpp . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.784 0.325 . . . . 6.87 111.126 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -90.26 114.11 59.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.719 -0.673 . . . . 5.86 109.781 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -75.82 127.55 10.21 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.255 1.303 . . . . 2.12 111.694 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.659 HG21 ' O ' ' B' ' 45' ' ' LEU . 74.1 t -67.24 137.26 25.12 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 121.597 0.713 . . . . 1.33 109.738 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' B' ' 50' ' ' ASN . 66.7 p -124.56 160.22 28.88 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.748 -0.66 . . . . 1.29 110.562 -177.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.432 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.5 OUTLIER -50.61 -15.72 0.3 Allowed 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 113.626 0.973 . . . . 1.29 113.626 177.027 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.482 ' CE2' " H2'" ' C' ' 12' ' ' ' DG' . 40.8 m-85 -85.81 -20.36 29.3 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 120.497 -0.481 . . . . 2.01 109.797 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -39.9 15.47 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.529 -1.286 . . . . 1.45 107.529 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 8.6 t -61.62 -48.72 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.005 -0.998 . . . . 1.22 111.0 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.41 -64.35 0.89 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 122.059 0.933 . . . . 1.12 110.416 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -49.11 -34.08 13.24 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 113.432 -1.713 . . . . 2.46 112.906 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -78.09 -44.17 26.97 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 116.152 -0.476 . . . . 2.19 112.029 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.86 -22.17 37.11 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 112.648 0.61 . . . . 1.26 112.648 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.59 23.36 31.23 Favored Glycine 0 C--N 1.32 -0.312 0 C-N-CA 119.488 -1.339 . . . . 1.09 112.493 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 m -110.54 158.63 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 N-CA-C 109.015 -0.735 . . . . 1.25 109.015 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.451 ' HB2' ' OG1' ' B' ' 19' ' ' THR . 5.4 m -70.1 168.02 16.47 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 119.809 -0.756 . . . . 1.31 112.067 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.468 ' OH ' ' N7 ' ' C' ' 13' ' ' ' DA' . 2.2 t80 -63.55 -45.18 91.68 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.081 -1.418 . . . . 2.42 110.249 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -69.4 -34.12 74.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.277 -0.268 . . . . 1.44 110.277 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.451 ' OG1' ' HB2' ' B' ' 16' ' ' SER . 6.3 m -57.01 -28.18 62.25 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.696 0.623 . . . . 1.22 111.996 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.4 t -82.57 -40.13 16.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.832 -0.622 . . . . 1.78 109.495 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 17.9 m -66.86 -31.73 72.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.682 -0.69 . . . . 1.13 111.29 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -78.6 -18.63 54.27 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.394 -0.816 . . . . 3.37 111.438 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.1 t -75.09 -37.58 40.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.274 -1.01 . . . . 1.37 108.274 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.8 -39.27 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 114.411 -1.268 . . . . 1.33 110.107 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -73.02 -9.33 58.61 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.998 -0.546 . . . . 1.3 112.081 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 60.07 31.35 20.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 123.462 0.705 . . . . 4.39 111.311 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.47 175.55 10.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.229 1.014 . . . . 2.82 111.796 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.624 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 53.8 m -100.7 178.92 4.57 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 113.436 -1.711 . . . . 1.96 107.925 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.624 ' HB2' ' O ' ' B' ' 28' ' ' SER . 23.9 m170 89.37 -1.97 0.36 Allowed 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 123.332 0.653 . . . . 1.64 110.164 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.79 103.35 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 N-CA-C 108.161 -1.051 . . . . 1.61 108.161 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.19 166.03 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 115.254 1.576 . . . . 1.09 115.254 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -67.22 -37.43 83.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.324 -1.307 . . . . 1.64 111.461 -177.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 28.4 ttpt -55.09 -60.45 3.36 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.532 0.682 . . . . 3.67 110.304 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.45 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.1 OUTLIER -56.91 -23.25 43.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.138 -0.937 . . . . 1.21 112.089 178.837 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.09 -40.31 53.34 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.522 0.677 . . . . 4.13 109.529 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 20.7 mt-10 -69.13 -32.3 71.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.752 -1.113 . . . . 1.96 109.775 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' B' ' 33' ' ' LYS . 11.3 mmpt? -62.92 -37.53 87.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.598 -1.183 . . . . 2.4 109.572 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.462 ' O ' ' HG3' ' B' ' 42' ' ' MET . 93.7 t -75.36 -39.16 41.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.948 -0.569 . . . . 1.22 110.309 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' B' ' 42' ' ' MET . 41.6 mt-10 -62.83 -34.59 77.64 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.63 0.729 . . . . 1.68 110.037 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.6 81.18 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.872 -1.058 . . . . 1.3 109.698 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.83 -32.26 70.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.819 -1.082 . . . . 1.29 109.983 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 48.0 mtt -62.59 -21.94 66.0 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.09 -0.959 . . . . 1.2 108.991 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.31 -47.45 8.03 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.106 -0.497 . . . . 1.34 110.357 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -54.84 -55.03 34.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.259 1.028 . . . . 1.58 110.054 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.659 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.3 OUTLIER -76.26 -18.29 59.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.501 -1.227 . . . . 1.76 110.43 178.77 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 53.81 71.04 0.54 Allowed 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 106.253 -1.758 . . . . 1.3 106.253 -176.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.448 ' HD1' ' H ' ' B' ' 48' ' ' ILE . 0.1 OUTLIER -35.98 128.72 0.68 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 112.834 -1.984 . . . . 2.36 115.192 -176.06 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.581 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 mm -131.54 74.86 77.73 Favored Pre-proline 0 C--N 1.307 -1.25 0 CA-C-N 110.865 -2.879 . . . . 1.83 109.444 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' B' ' 51' ' ' ARG . 72.4 Cg_exo -37.54 125.15 0.6 Allowed 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 123.913 3.076 . . . . 0.79 111.995 -177.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.458 ' HB2' ' CG2' ' B' ' 5' ' ' THR . 34.8 t-20 -66.8 76.49 0.12 Allowed 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.404 -0.591 . . . . 0.85 109.404 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' B' ' 51' ' ' ARG . 13.4 mtt85 -43.7 -28.07 0.38 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.915 1.45 . . . . 5.23 114.915 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' B' ' 56' ' ' LEU . 71.1 m -71.26 -56.39 6.14 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.909 -0.404 . . . . 0.75 109.909 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.96 -34.44 59.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.24 0.543 . . . . 1.34 111.258 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.404 ' HG2' " C5'" ' C' ' 13' ' ' ' DA' . 2.0 mt-30 -60.32 -35.6 75.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.036 -0.984 . . . . 1.04 112.276 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -92.49 -21.81 19.94 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.474 -0.935 . . . . 3.01 108.474 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.51 HD21 ' HB1' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -70.34 -43.58 69.95 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.436 -0.802 . . . . 1.26 110.479 178.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.67 -68.93 0.34 Allowed 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 106.847 -1.538 . . . . 1.29 106.847 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.78 31.82 0.02 OUTLIER Glycine 0 C--O 1.239 0.406 0 C-N-CA 118.824 -1.655 . . . . 1.6 111.48 173.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp 58.7 -163.3 0.22 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.137 -0.531 . . . . 5.31 110.761 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -77.63 139.57 39.5 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.347 -0.388 . . . . 7.24 111.283 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 15.8 m -82.98 98.46 9.26 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.236 0.541 . . . . 6.58 110.486 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 20.8 tp . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.913 -1.042 . . . . 8.7 109.583 179.858 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.5 -1.494 0 C3'-C2'-C1' 99.222 -2.484 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 C3'-C2'-C1' 99.607 -2.209 . . . . 2.25 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.402 ' C8 ' ' H72' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 103.758 -2.129 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.404 " H1'" " H5'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.809 0 O4'-C1'-C2' 103.923 -1.979 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.462 ' C2 ' ' C5 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.854 0 C3'-C2'-C1' 99.372 -2.377 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.462 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.1 0 O4'-C1'-C2' 104.002 -1.907 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.469 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.507 -0.969 0 C3'-C2'-C1' 99.116 -2.56 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.264 0 C3'-C2'-C1' 99.226 -2.482 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.456 0.931 0 C3'-C2'-C1' 99.502 -2.285 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . 0.436 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.597 -0.805 0 C3'-C2'-C1' 98.674 -2.876 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.436 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-C2' 103.73 -2.154 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.499 -1.598 0 C3'-C2'-C1' 99.696 -2.146 . . . . 0.89 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.507 H2'' ' C8 ' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.496 -1.791 0 O4'-C1'-C2' 104.146 -1.777 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.507 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.098 0 C3'-C2'-C1' 99.688 -2.151 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.591 -1.369 0 C3'-C2'-C1' 99.847 -2.038 . . . . 1.18 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.256 0 C3'-C2'-C1' 99.837 -2.045 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.49 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.069 0 O4'-C1'-C2' 104.072 -1.843 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.49 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.766 0 O4'-C1'-C2' 104.115 -1.804 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.096 0 C3'-C2'-C1' 100.028 -1.908 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 O4'-C1'-C2' 103.902 -1.999 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.402 ' C6 ' ' H73' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C3'-C2'-C1' 100.026 -1.91 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.527 ' C6 ' ' H73' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.992 0 C3'-C2'-C1' 99.606 -2.21 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.527 ' H73' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.957 0 C3'-C2'-C1' 98.936 -2.688 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . 0.407 H2'' ' OP2' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 C3'-C2'-C1' 101.002 -1.213 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.473 " H1'" " H5'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.53 0 C4'-C3'-C2' 101.898 -1.302 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.496 ' C8 ' ' H71' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.521 -0.653 0 O4'-C1'-C2' 107.117 0.925 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.496 ' H71' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C3'-C2'-C1' 103.927 0.876 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.422 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.529 1.077 0 C1'-O4'-C4' 107.728 -1.409 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.565 ' C8 ' ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.037 0 C5'-C4'-C3' 116.945 1.496 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.565 ' H71' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.033 0 C5'-C4'-C3' 117.116 1.61 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.484 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.917 0 C3'-C2'-C1' 104.17 1.05 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.485 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.616 0.751 0 O4'-C1'-C2' 107.446 1.224 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.511 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.533 0.478 0 C5'-C4'-O4' 108.201 -0.75 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.511 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 N19-C1'-C2' 115.976 1.11 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 107.885 1.623 . . . . 1.55 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.418 ' C5 ' ' C4 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 P--O3' 1.615 0.681 0 C3'-C2'-C1' 101.039 -1.187 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.51 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C3'-C2'-C1' 104.82 1.514 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.557 0 C5'-C4'-C3' 117.017 1.545 . . . . 1.17 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.52 " H1'" " H5'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.864 0 O4'-C1'-C2' 107.584 1.349 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.537 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C4'-C3'-C2' 102.236 -0.964 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.537 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C5'-C4'-C3' 116.527 1.218 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.511 ' C4 ' ' N7 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 1.014 0 O4'-C1'-C2' 107.027 0.842 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.511 ' N7 ' ' C4 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.515 -0.431 0 O4'-C1'-N19 108.372 0.715 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.46 ' H73' ' C8 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C5'-C4'-O4' 107.931 -0.918 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.476 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C4'-C3'-C2' 104.776 1.576 . . . . 1.82 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . 0.476 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.423 -0.635 0 N19-C1'-C2' 115.356 0.723 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 mmt . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.796 -0.446 . . . . 7.3 109.796 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.561 ' HB3' ' HZ3' ' A' ' 2' ' ' LYS . 4.7 ttpm? -80.99 112.47 32.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.429 -0.582 . . . . 6.26 109.429 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.54 127.72 12.0 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.645 2.23 . . . . 2.2 112.314 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 45' ' ' LEU . 83.7 t -125.94 129.62 72.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.008 -1.108 . . . . 1.47 108.008 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.596 ' O ' HG21 ' A' ' 9' ' ' VAL . 3.1 p -91.21 169.95 10.41 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 113.316 0.858 . . . . 1.36 113.316 -178.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' CD1' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -65.1 -18.38 65.25 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.041 -1.436 . . . . 1.24 109.363 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -78.24 -40.62 36.73 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.677 -0.692 . . . . 0.82 110.859 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.7 -41.2 97.28 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.699 1.238 . . . . 1.86 107.88 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.596 HG21 ' O ' ' A' ' 5' ' ' THR . 23.1 t -62.49 -44.26 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 112.649 -2.069 . . . . 1.31 110.799 178.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -34.04 76.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.185 -0.916 . . . . 1.25 111.223 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -70.08 -49.65 48.91 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.284 -0.416 . . . . 2.41 110.646 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -67.79 -25.23 65.49 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.253 0.549 . . . . 2.57 111.803 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.4 -17.78 26.63 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.668 -0.696 . . . . 1.32 109.974 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.65 44.31 40.18 Favored Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 110.519 -1.033 . . . . 0.72 110.519 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.76 -166.87 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.804 -0.698 . . . . 1.26 110.268 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.6 p -99.71 170.78 8.33 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.623 -1.251 . . . . 1.03 107.623 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.409 ' HB2' ' CD1' ' A' ' 6' ' ' LEU . 35.5 p90 -73.42 -32.68 64.55 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 118.211 -1.396 . . . . 2.26 108.615 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -62.4 -33.36 74.61 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.667 -0.697 . . . . 2.69 110.189 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -62.47 -46.01 90.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.644 -0.873 . . . . 1.18 108.644 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 24' ' ' VAL . 55.9 t -59.55 -52.71 57.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.705 -1.134 . . . . 1.28 110.028 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.7 t -62.33 -25.68 68.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 1.22 111.635 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -73.05 -30.33 63.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.626 -0.509 . . . . 3.12 109.626 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.6 t -84.06 -44.26 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-O 121.465 0.65 . . . . 1.33 111.284 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 20' ' ' VAL . 24.9 t -62.67 -49.41 83.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.241 -0.89 . . . . 1.37 112.535 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -87.41 -18.5 29.83 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 113.46 0.911 . . . . 1.24 113.46 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.491 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 20.3 mt-30 -135.85 -106.36 0.21 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 119.158 -0.449 . . . . 5.01 110.855 -178.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 26' ' ' GLN . . . 151.83 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.691 1.197 . . . . 3.09 109.842 -178.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 46.6 t -77.91 160.91 27.95 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.452 -0.794 . . . . 2.08 110.599 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 28' ' ' SER . 56.7 m170 72.21 21.9 3.75 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 123.895 0.747 . . . . 2.33 111.372 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.26 137.14 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 109.053 -0.721 . . . . 1.54 109.053 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.603 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 63.8 m -64.13 132.88 51.76 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.995 -1.002 . . . . 1.42 109.742 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.94 -34.79 65.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.477 0.656 . . . . 1.68 109.979 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -59.38 -40.76 87.57 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.092 -0.958 . . . . 3.58 110.685 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.603 ' OG1' ' HB2' ' A' ' 31' ' ' SER . 0.0 OUTLIER -88.8 -41.54 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.583 0.586 . . . . 1.56 112.583 -179.41 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.532 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 45.7 ttp180 -50.11 -49.99 49.93 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.128 0.489 . . . . 4.14 111.58 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 39.0 mt-10 -71.51 -16.99 62.36 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.135 -0.939 . . . . 1.72 111.349 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -89.51 -28.75 19.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 1.95 110.279 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.439 HG12 ' HE3' ' A' ' 42' ' ' MET . 89.7 t -78.42 -44.54 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 108.746 -0.835 . . . . 1.27 108.746 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 38.3 mt-10 -59.27 -29.9 67.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.867 -1.06 . . . . 1.7 108.498 178.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.532 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -73.14 -33.14 65.33 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.689 -1.141 . . . . 1.38 110.46 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.46 96.14 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.544 0.688 . . . . 1.24 109.504 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.439 ' HE3' HG12 ' A' ' 38' ' ' VAL . 44.7 mtt -58.03 -27.92 64.0 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 114.962 -1.017 . . . . 1.29 112.248 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.4 -26.4 26.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.296 0.569 . . . . 1.33 110.79 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 21.4 mm-40 -72.75 -56.71 4.86 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.086 -0.961 . . . . 1.55 110.801 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.55 ' O ' HG22 ' A' ' 4' ' ' VAL . 1.3 mt -80.8 -18.69 46.73 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 113.48 -1.691 . . . . 2.37 111.447 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.72 66.41 0.15 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.58 0.705 . . . . 2.34 110.132 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.529 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.1 t80 -81.04 118.4 22.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.254 -0.884 . . . . 2.17 111.19 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.7 110.36 64.11 Favored Pre-proline 0 N--CA 1.438 -1.075 0 N-CA-C 108.831 -0.803 . . . . 1.99 108.831 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -55.26 107.16 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.71 2.274 . . . . 0.78 110.663 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -67.71 100.4 0.91 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.373 0.606 . . . . 0.69 111.534 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -69.27 -19.64 63.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.435 -0.802 . . . . 4.93 110.818 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 1.3 m -74.09 -35.96 64.23 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.418 -0.956 . . . . 0.7 108.418 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.526 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -72.45 -39.27 67.91 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.119 -0.946 . . . . 1.2 110.095 178.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.419 ' HG3' H5'' ' D' ' 14' ' ' ' DT' . 32.1 tt0 -64.62 -42.25 95.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.782 -0.644 . . . . 1.82 110.057 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 52' ' ' CYS . 2.9 pt20 -62.56 -30.13 71.09 Favored 'General case' 0 CA--C 1.522 -0.134 0 N-CA-C 108.971 -0.751 . . . . 3.08 108.971 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.25 -46.74 60.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.207 -0.906 . . . . 1.24 110.83 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.32 -13.71 60.13 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.016 -0.538 . . . . 1.23 112.307 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.522 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . 145.93 97.46 0.21 Allowed Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 110.75 -0.94 . . . . 1.86 110.75 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -67.02 92.03 0.23 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.7 0.762 . . . . 6.73 111.143 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 38.5 mt-30 -102.3 3.55 38.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.53 -1.214 . . . . 7.37 109.965 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m 57.56 78.81 0.22 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 114.814 -1.084 . . . . 7.76 112.063 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.4 tp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.641 -0.695 . . . . 9.67 110.317 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtm . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.937 0.399 . . . . 6.87 110.782 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.26 116.5 21.62 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-O 121.235 0.54 . . . . 5.86 110.084 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -66.44 121.15 8.37 Favored 'Trans proline' 0 C--N 1.331 -0.346 0 C-N-CA 122.792 2.328 . . . . 2.12 111.801 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.647 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 90.4 t -119.94 139.53 46.95 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.912 0 CA-C-N 116.136 -0.484 . . . . 1.33 109.939 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.774 HG23 ' OP1' ' C' ' 12' ' ' ' DG' . 17.7 p -93.4 165.26 12.86 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 113.083 0.772 . . . . 1.29 113.083 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.407 ' HG ' HG13 ' B' ' 20' ' ' VAL . 2.4 tt -61.83 -22.03 65.14 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.153 -0.931 . . . . 1.29 109.971 176.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.476 ' HE2' " H2'" ' C' ' 12' ' ' ' DG' . 37.5 m-85 -66.89 -41.18 87.61 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 115.841 -0.618 . . . . 2.01 110.214 178.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.404 ' HB2' ' CG1' ' B' ' 4' ' ' VAL . 20.2 m-20 -70.07 -31.24 68.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.237 -0.892 . . . . 1.45 110.103 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.436 ' HA ' HD23 ' B' ' 45' ' ' LEU . 51.5 t -67.1 -45.85 85.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.844 -0.616 . . . . 1.22 110.558 178.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.27 -54.7 44.01 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.062 -0.517 . . . . 1.12 111.817 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -61.84 -39.95 93.63 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.344 -0.844 . . . . 2.46 112.448 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.456 ' CB ' HD22 ' B' ' 45' ' ' LEU . 63.2 t80 -62.7 -38.48 90.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.481 0.658 . . . . 2.19 110.108 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.539 ' O ' ' HD3' ' B' ' 37' ' ' LYS . . . -84.29 -21.59 30.99 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.326 -0.852 . . . . 1.26 111.126 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.74 -47.75 1.02 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.754 -0.938 . . . . 1.09 110.754 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -45.52 160.92 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 115.546 1.684 . . . . 1.25 115.546 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -78.09 167.81 20.85 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 113.718 -1.583 . . . . 1.31 110.243 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.537 ' HH ' H2'' ' C' ' 12' ' ' ' DG' . 26.3 t80 -57.61 -56.55 20.43 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.093 -0.958 . . . . 2.42 111.422 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -58.19 -25.22 61.32 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 112.861 0.689 . . . . 1.44 112.861 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -66.13 -39.33 89.8 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.892 0.853 . . . . 1.22 109.613 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.459 HG11 ' CG1' ' B' ' 38' ' ' VAL . 10.9 t -67.47 -51.49 51.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.64 -1.164 . . . . 1.78 109.81 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -53.59 -49.77 67.05 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.418 -0.956 . . . . 1.13 108.418 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -48.81 -39.88 27.07 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 114.107 -1.406 . . . . 3.37 112.572 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 25.5 t -72.19 -41.15 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.21 0.529 . . . . 1.37 110.895 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.459 HG12 ' NZ ' ' B' ' 59' ' ' LYS . 45.8 t -66.14 -39.87 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 CA-C-N 115.423 -0.808 . . . . 1.33 111.557 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.419 HD22 ' P ' ' C' ' 14' ' ' ' DT' . 19.4 m-80 -81.26 -9.58 59.74 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.212 -0.449 . . . . 1.3 111.006 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 59.33 41.42 19.79 Favored 'General case' 0 N--CA 1.462 0.172 0 O-C-N 123.944 0.777 . . . . 4.39 109.893 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.18 171.63 13.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.031 -0.986 . . . . 2.82 111.355 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 9.3 p -84.86 170.93 12.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.973 -0.558 . . . . 1.96 110.438 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' B' ' 28' ' ' SER . 53.2 m170 72.0 40.43 0.73 Allowed 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.416 0.448 . . . . 1.64 111.951 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 13.5 t -132.4 124.54 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 N-CA-C 110.007 -0.368 . . . . 1.61 110.007 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.713 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 14.7 m -68.08 146.71 53.23 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 109.987 -0.375 . . . . 1.09 109.987 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.06 -51.86 65.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.417 0.525 . . . . 1.64 112.417 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -58.58 -48.31 81.37 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.065 0.394 . . . . 3.67 112.065 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.713 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -57.34 -36.47 71.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.053 -0.521 . . . . 1.21 111.19 179.632 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -68.8 -49.03 61.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.999 -0.546 . . . . 4.13 110.05 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.1 -36.02 74.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.081 -0.963 . . . . 1.96 111.159 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' B' ' 13' ' ' ALA . 19.6 ttmm -63.66 -38.45 91.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 2.4 111.268 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.603 ' O ' ' HG3' ' B' ' 42' ' ' MET . 96.2 t -73.42 -41.22 56.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.02 -0.536 . . . . 1.22 111.179 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -68.77 -28.25 66.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.847 0.356 . . . . 1.68 110.321 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.66 -44.69 23.18 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.248 -0.433 . . . . 1.3 110.42 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.9 -27.88 33.18 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.71 -0.677 . . . . 1.29 110.785 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 49.7 mtt -61.45 -21.88 64.55 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.212 -0.904 . . . . 1.2 110.9 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.18 -48.09 7.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.374 . . . . 1.34 111.702 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.59 -46.22 84.29 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 121.697 0.76 . . . . 1.58 110.729 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.5 ' HB3' HG13 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -75.4 -17.2 60.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.857 -1.065 . . . . 1.76 111.579 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 63.08 43.34 6.58 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.014 -1.476 . . . . 1.3 107.014 -175.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.647 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.6 t80 -56.27 122.09 11.0 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 114.185 -1.37 . . . . 2.36 111.209 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -133.86 101.92 12.57 Favored Pre-proline 0 N--CA 1.431 -1.401 0 N-CA-C 103.893 -2.632 . . . . 1.83 103.893 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.562 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 4.8 Cg_exo -34.48 126.6 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 124.706 3.604 . . . . 0.79 115.355 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.56 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 2.0 m-20 -65.89 80.75 0.07 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.443 -0.799 . . . . 0.85 110.254 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 tpp85 -49.69 -30.3 8.97 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.017 1.118 . . . . 5.23 114.017 -177.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 85.4 m -68.22 -60.31 2.56 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.571 -0.452 . . . . 0.75 110.448 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.64 -36.28 75.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.959 0.409 . . . . 1.34 111.768 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.562 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 43.8 mt-30 -63.9 -32.92 74.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.182 -0.463 . . . . 1.04 111.488 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.532 HE21 HD21 ' B' ' 62' ' ' LEU . 0.9 OUTLIER -68.12 -50.04 57.31 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.232 -1.025 . . . . 3.01 108.232 179.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.438 HD11 ' HB1' ' A' ' 53' ' ' ALA . 1.1 mp -52.55 -42.8 64.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.152 -0.931 . . . . 1.26 110.729 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.405 ' CB ' ' H21' ' C' ' 12' ' ' ' DG' . . . -79.38 -7.99 58.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.972 -0.558 . . . . 1.29 111.991 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.21 -53.02 4.82 Favored Glycine 0 C--O 1.24 0.483 0 C-N-CA 121.072 -0.585 . . . . 1.6 113.522 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.459 ' NZ ' HG12 ' B' ' 24' ' ' VAL . 30.1 tttm 50.13 -121.33 1.66 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 122.786 0.434 . . . . 5.31 111.208 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -124.46 12.65 8.74 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.627 -0.509 . . . . 7.24 109.627 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.45 -19.09 15.06 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.815 -0.629 . . . . 6.58 110.965 -178.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.532 HD21 HE21 ' B' ' 55' ' ' GLN . 1.1 mm? . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.398 -0.811 . . . . 8.7 111.307 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.498 -1.669 0 C3'-C2'-C1' 99.291 -2.435 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . 0.438 H2'' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.04 0 C3'-C2'-C1' 99.296 -2.431 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.475 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 103.631 -2.245 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.582 " H3'" ' HG ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 103.96 -1.945 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.5 ' H73' ' C6 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.96 0 C3'-C2'-C1' 99.606 -2.21 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.539 ' C2 ' ' C2 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.152 0 O4'-C1'-C2' 104.21 -1.718 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.799 0 C3'-C2'-C1' 99.504 -2.283 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.04 0 C3'-C2'-C1' 99.535 -2.261 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.869 0 C3'-C2'-C1' 99.918 -1.987 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 C3'-C2'-C1' 98.993 -2.648 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 103.94 -1.963 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.498 -1.625 0 C3'-C2'-C1' 98.913 -2.705 . . . . 0.89 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.774 ' OP1' HG23 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.584 -1.901 0 O4'-C1'-C2' 103.892 -2.007 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.437 H2'' ' H73' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C3'-C2'-C1' 99.601 -2.214 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.478 ' H71' ' CE2' ' B' ' 17' ' ' TYR . . . . . . . . 0 C2'--C1' 1.514 -0.507 0 C5'-C4'-C3' 118.522 2.548 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.07 0 C3'-C2'-C1' 100.254 -1.747 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.458 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.951 0 O4'-C1'-C2' 104.0 -1.909 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.458 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.023 0 C5'-C4'-C3' 117.539 1.893 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.76 0 C3'-C2'-C1' 100.029 -1.908 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.987 0 C3'-C2'-C1' 99.89 -2.007 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C3'-C2'-C1' 99.759 -2.101 . . . . 1.67 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.941 0 C3'-C2'-C1' 99.497 -2.288 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.99 0 C3'-C2'-C1' 99.074 -2.59 . . . . 2.28 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.205 0 C3'-C2'-C1' 100.302 -1.713 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.415 " H1'" " H5'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C5'-C4'-C3' 116.572 1.248 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.422 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 107.192 0.993 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.422 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C3'-C2'-C1' 104.675 1.411 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.501 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.526 0.77 0 C3'-C2'-C1' 105.376 1.911 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.576 ' C8 ' ' H73' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C5'-C4'-C3' 116.184 0.99 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.576 ' H73' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-C2' 107.327 1.116 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.41 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 P--O3' 1.617 0.836 0 C3'-C2'-C1' 105.002 1.644 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 104.308 1.108 . . . . 1.02 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.458 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C5'-C4'-O4' 107.974 -0.891 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.458 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.956 0 O4'-C1'-C2' 107.222 1.02 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.4 " H1'" ' O ' ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O4'-C1'-C2' 107.957 1.688 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.425 " H1'" " H5'" ' D' ' 13' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.688 0 N19-C1'-C2' 115.805 1.003 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.526 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.063 0 C3'-C2'-C1' 104.573 1.338 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.476 " H1'" " H5'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C5'-C4'-O4' 107.849 -0.97 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.476 " H5'" " H1'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-C2' 107.509 1.281 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.611 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 102.194 -1.006 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.611 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.956 0 C5'-C4'-C3' 115.847 0.765 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.539 ' C2 ' ' C2 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C5'-C4'-C3' 116.054 0.902 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.492 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C5'-C4'-C3' 115.597 0.598 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.413 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C5'-C4'-O4' 107.736 -1.04 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.492 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 106.898 0.725 . . . . 1.82 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . 0.492 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 107.06 0.872 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.1 mtp . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 110.182 -0.303 . . . . 7.3 110.182 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.98 117.04 50.95 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 110.26 -0.274 . . . . 6.26 110.26 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -70.45 96.08 0.64 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 121.765 1.643 . . . . 2.2 109.731 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.561 ' O ' ' HD1' ' A' ' 47' ' ' TYR . 55.6 t -52.88 137.08 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.931 0 CA-C-N 114.685 -1.143 . . . . 1.47 110.519 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.533 ' O ' HG21 ' A' ' 9' ' ' VAL . 2.8 p -98.63 170.51 8.75 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.782 -1.099 . . . . 1.36 113.282 -178.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.1 pt? -65.65 -16.93 64.21 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.971 -1.013 . . . . 1.24 110.193 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.456 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 72.7 m-85 -78.93 -38.87 36.18 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 109.799 -0.445 . . . . 0.82 109.799 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.456 ' HB2' HG13 ' A' ' 4' ' ' VAL . 73.5 m-20 -60.78 -41.67 96.01 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 122.528 1.156 . . . . 1.86 107.947 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.533 HG21 ' O ' ' A' ' 5' ' ' THR . 21.4 t -63.02 -47.8 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 CA-C-N 112.304 -2.226 . . . . 1.31 110.085 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.13 89.96 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.34 -0.845 . . . . 1.25 111.621 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 45.9 mt-10 -68.17 -43.9 77.16 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.996 -0.547 . . . . 2.41 111.231 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -75.71 -25.86 57.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.847 0.356 . . . . 2.57 111.303 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.27 -17.6 39.18 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 108.719 -0.845 . . . . 1.32 108.719 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.46 37.14 58.7 Favored Glycine 0 C--N 1.339 0.741 0 C-N-CA 120.401 -0.904 . . . . 0.72 111.191 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.07 -169.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.258 -0.971 . . . . 1.26 111.002 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 m -97.95 164.23 12.45 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 107.305 -1.368 . . . . 1.03 107.305 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.413 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 53.5 p90 -68.89 -28.92 67.12 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.84 -1.17 . . . . 2.26 107.84 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' NE2' ' N6 ' ' D' ' 16' ' ' ' DA' . 4.3 tp-100 -60.88 -37.53 82.48 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.351 -1.295 . . . . 2.69 110.216 175.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.532 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 85.8 m -65.66 -46.14 80.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.172 0.51 . . . . 1.18 109.787 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.712 ' O ' HG21 ' A' ' 24' ' ' VAL . 76.5 t -56.1 -50.7 68.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 114.717 -1.129 . . . . 1.28 111.055 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.0 t -66.93 -30.11 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.095 -0.335 . . . . 1.22 110.095 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.532 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 6.2 mtm180 -64.44 -34.65 78.68 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.309 -0.405 . . . . 3.12 110.016 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 78.4 t -79.45 -47.02 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 1.33 111.254 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.712 HG21 ' O ' ' A' ' 20' ' ' VAL . 18.1 t -60.87 -47.67 92.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 112.993 0.738 . . . . 1.37 112.993 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.519 HD22 ' P ' ' D' ' 14' ' ' ' DT' . 68.1 m-20 -88.47 -25.68 22.48 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 114.139 1.163 . . . . 1.24 114.139 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.754 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 14.0 mm-40 -129.12 -101.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 118.497 0.589 . . . . 5.01 111.322 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 26' ' ' GLN . . . 145.04 -46.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 125.196 1.56 . . . . 3.09 110.713 -177.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 2.0 m -62.9 150.71 41.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.273 -0.876 . . . . 2.08 111.27 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.511 ' HB3' ' C7 ' ' C' ' 4' ' ' ' DT' . 54.1 m170 75.56 16.08 2.61 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.885 0.85 . . . . 2.33 109.995 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.0 t -133.18 122.89 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 114.62 -1.173 . . . . 1.54 107.892 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.6 p -67.56 146.8 53.54 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.516 -0.765 . . . . 1.42 109.215 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.557 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.78 -37.26 68.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.107 -0.497 . . . . 1.68 110.211 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -54.55 -43.02 71.64 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.172 -0.467 . . . . 3.58 111.643 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.559 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -84.28 -43.2 15.07 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.628 0.233 . . . . 1.56 111.628 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 35' ' ' ARG . 16.1 ttp180 -53.55 -49.88 66.72 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.253 0.549 . . . . 4.14 112.439 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 29.9 mt-10 -71.27 -23.05 61.9 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.973 -1.012 . . . . 1.72 110.702 -177.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -81.21 -30.97 34.12 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.693 -0.685 . . . . 1.95 110.21 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 34' ' ' THR . 96.8 t -78.26 -43.0 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 109.457 -0.572 . . . . 1.27 109.457 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.83 -30.11 67.42 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 122.266 1.031 . . . . 1.7 108.79 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -75.7 -37.91 59.07 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.501 -1.227 . . . . 1.38 111.23 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB1' HG12 ' A' ' 9' ' ' VAL . . . -63.03 -37.18 86.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.502 0.668 . . . . 1.24 110.098 -179.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 mtt -64.63 -24.32 67.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.158 -0.928 . . . . 1.29 111.128 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.47 -34.74 18.58 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.646 0.736 . . . . 1.33 110.298 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 78.8 mm-40 -62.45 -57.76 10.06 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 122.752 1.263 . . . . 1.55 111.309 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.494 ' O ' HG22 ' A' ' 4' ' ' VAL . 0.6 OUTLIER -83.04 -15.0 52.77 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 112.96 -1.927 . . . . 2.37 112.304 -177.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 28.7 m-80 67.67 70.89 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.573 0.701 . . . . 2.34 109.796 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.561 ' HD1' ' O ' ' A' ' 4' ' ' VAL . 7.1 t80 -83.16 124.29 30.37 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.159 -0.928 . . . . 2.17 110.805 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.77 103.85 55.24 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.652 -0.499 . . . . 1.99 109.652 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.46 112.75 0.96 Allowed 'Trans proline' 0 N--CA 1.486 1.054 0 C-N-CA 123.383 2.722 . . . . 0.78 113.685 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -69.1 108.56 3.63 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.406 0.622 . . . . 0.69 111.122 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.522 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 2.1 mpt_? -70.69 -28.68 64.94 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.451 -0.795 . . . . 4.93 111.203 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.55 -25.51 60.43 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.678 -0.692 . . . . 0.7 110.222 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.525 ' HB3' " C5'" ' D' ' 13' ' ' ' DC' . . . -80.77 -38.61 28.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.079 -0.964 . . . . 1.2 109.338 178.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -66.04 -31.19 71.94 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 114.945 -1.025 . . . . 1.82 108.7 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.476 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 48.8 mt-30 -73.57 -27.6 61.4 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.026 0.441 . . . . 3.08 109.921 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.43 -42.12 45.14 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.285 -0.416 . . . . 1.24 111.533 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.41 -9.1 58.67 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.085 0.402 . . . . 1.23 112.085 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.75 110.97 2.34 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.715 -0.755 . . . . 1.86 111.594 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 7.0 mmtt -70.83 114.11 8.57 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.856 0.36 . . . . 6.73 111.814 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -83.25 90.08 7.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.53 -0.305 . . . . 7.37 111.037 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.9 m 69.71 -77.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.869 0.73 . . . . 7.76 112.308 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.5 tp . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.371 -0.823 . . . . 9.67 110.214 -178.897 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttp . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.858 -0.423 . . . . 6.87 109.858 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -87.32 128.3 55.71 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.633 0.254 . . . . 5.86 110.929 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -60.12 124.2 14.74 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.767 2.311 . . . . 2.12 111.17 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.61 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 9.8 t -74.93 175.49 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.531 -0.759 . . . . 1.33 110.366 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.57 HG22 ' OP1' ' C' ' 12' ' ' ' DG' . 27.1 p -131.37 152.18 50.85 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 109.704 -0.48 . . . . 1.29 109.704 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.579 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 0.7 OUTLIER -50.6 -29.51 11.06 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.035 0.921 . . . . 1.29 112.218 177.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.461 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 22.1 m-85 -70.48 -41.02 73.26 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.294 -1.321 . . . . 2.01 111.777 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -64.28 -32.94 74.73 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 108.95 -0.759 . . . . 1.45 108.95 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.54 -44.11 90.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 115.654 -0.703 . . . . 1.22 110.098 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.34 -60.51 3.66 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 124.017 0.823 . . . . 1.12 111.269 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.38 -38.89 69.44 Favored 'General case' 0 N--CA 1.445 -0.707 0 O-C-N 123.414 0.446 . . . . 2.46 112.023 -178.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -62.1 -47.1 86.12 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.915 -0.402 . . . . 2.19 109.915 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.472 ' HB3' ' HG2' ' B' ' 37' ' ' LYS . . . -78.85 -18.19 54.39 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 112.767 0.654 . . . . 1.26 112.767 -177.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.76 -48.33 0.95 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.5 -1.04 . . . . 1.09 110.5 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.9 m -48.66 159.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 116.638 2.088 . . . . 1.25 116.638 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -71.35 165.24 24.15 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 114.023 -1.444 . . . . 1.31 108.525 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.431 ' HD1' ' CD2' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -68.72 -48.22 64.38 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 110.518 -0.179 . . . . 2.42 110.518 -178.101 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' B' ' 22' ' ' ARG . 24.3 tp60 -55.33 -14.76 2.0 Allowed 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.051 0.929 . . . . 1.44 110.852 176.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.409 ' H ' ' C ' ' B' ' 17' ' ' TYR . 4.2 m -80.09 -34.9 37.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.177 -0.92 . . . . 1.22 109.806 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.579 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 14.2 t -70.59 -46.36 70.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.714 -1.13 . . . . 1.78 109.514 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 27.5 m -53.62 -51.41 63.18 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.718 -1.216 . . . . 1.13 107.718 175.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.459 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 4.0 ttp180 -50.15 -39.29 42.96 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 112.771 -2.013 . . . . 3.37 112.959 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.415 HG12 ' HB ' ' B' ' 38' ' ' VAL . 47.2 t -81.21 -45.45 20.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 O-C-N 122.209 -0.307 . . . . 1.37 110.862 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.5 -46.88 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 122.696 0.398 . . . . 1.33 111.542 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.69 -3.48 57.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 1.3 111.426 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.524 ' OE1' ' HD3' ' B' ' 35' ' ' ARG . 77.5 mm-40 58.06 39.08 26.6 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.117 -0.492 . . . . 4.39 109.919 -178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.17 166.99 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.397 -0.82 . . . . 2.82 111.112 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -80.32 179.92 7.44 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 116.209 -0.45 . . . . 1.96 110.446 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 23.6 m170 64.68 39.64 6.3 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.15 0.5 . . . . 1.64 109.947 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.711 ' HB ' ' NH2' ' B' ' 35' ' ' ARG . 37.1 t -138.27 130.43 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 CA-C-N 116.158 -0.474 . . . . 1.61 110.975 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.544 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 64.5 m -70.54 147.32 49.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.752 -0.658 . . . . 1.09 109.601 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' B' ' 36' ' ' GLU . . . -70.83 -9.07 56.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.37 0.878 . . . . 1.64 113.37 -177.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -91.45 -53.89 4.14 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 107.186 -1.413 . . . . 3.67 107.186 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.544 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -55.49 -27.99 51.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 112.918 -1.946 . . . . 1.21 110.999 177.652 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.711 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 33.1 ttm-85 -71.58 -47.86 52.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.449 0.642 . . . . 4.13 110.457 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' B' ' 32' ' ' ALA . 16.6 mm-40 -68.45 -27.67 66.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.375 -0.829 . . . . 1.96 111.101 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.472 ' HG2' ' HB3' ' B' ' 13' ' ' ALA . 1.3 tppt? -67.35 -48.42 67.54 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.56 -0.745 . . . . 2.4 109.878 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.497 HG22 ' O ' ' B' ' 34' ' ' THR . 70.5 t -65.88 -37.92 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 115.505 -0.77 . . . . 1.22 112.116 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.7 -31.27 69.2 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.617 -0.433 . . . . 1.68 109.916 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.47 -45.24 69.48 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.075 -0.713 . . . . 1.3 109.075 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.01 62.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.311 -0.859 . . . . 1.29 112.118 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 52.4 mtt -70.24 -26.23 63.75 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.164 -1.05 . . . . 1.2 108.164 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.26 -12.67 40.03 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.467 -1.242 . . . . 1.34 110.173 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -92.38 -52.68 4.55 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.282 -1.377 . . . . 1.58 107.282 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.515 ' HB3' HG11 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -72.53 -10.61 60.0 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 114.006 -1.452 . . . . 1.76 112.566 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t30 60.9 46.14 8.9 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.293 -1.002 . . . . 1.3 108.293 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.61 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.6 t80 -60.97 124.44 20.5 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 113.998 -1.455 . . . . 2.36 111.537 -177.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 10.2 mm -138.32 99.0 8.96 Favored Pre-proline 0 N--CA 1.427 -1.603 0 N-CA-C 103.044 -2.947 . . . . 1.83 103.044 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.427 ' HB2' ' NH1' ' B' ' 51' ' ' ARG . 0.5 OUTLIER -29.78 125.56 0.06 OUTLIER 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.915 3.743 . . . . 0.79 116.825 -175.646 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.423 HD21 " H5'" ' C' ' 12' ' ' ' DG' . 57.9 t-20 -52.23 94.81 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.397 -1.274 . . . . 0.85 110.246 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' B' ' 49' ' ' PRO . 27.5 mmt180 -57.93 -31.36 66.74 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.033 0.753 . . . . 5.23 113.033 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 78.1 m -73.38 -59.65 2.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 120.792 -0.363 . . . . 0.75 110.923 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.436 ' HB1' " H4'" ' C' ' 12' ' ' ' DG' . . . -65.84 -37.36 86.01 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.688 0.625 . . . . 1.34 112.688 -179.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.519 ' HG2' H5'' ' C' ' 13' ' ' ' DA' . 10.8 mt-30 -63.97 -43.49 95.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.98 0.419 . . . . 1.04 111.129 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -60.87 -36.73 79.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.793 0.806 . . . . 3.01 108.877 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tp -69.7 -47.52 62.91 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.5 -1.227 . . . . 1.26 110.803 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.61 -63.14 1.25 Allowed 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.687 -0.405 . . . . 1.29 110.332 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.51 -27.3 0.76 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 118.742 -1.694 . . . . 1.6 110.938 175.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.584 ' HD3' H5'' ' C' ' 14' ' ' ' DT' . 34.1 mtpt -125.48 -176.46 3.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 122.735 0.414 . . . . 5.31 110.253 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -134.24 -91.59 0.34 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.824 0.345 . . . . 7.24 110.273 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.61 -30.74 17.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.582 0.706 . . . . 6.58 109.12 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 37.4 mt . . . . . 0 C--O 1.252 1.209 0 CA-C-N 114.756 -1.111 . . . . 8.7 109.36 -179.808 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . 0.46 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.501 -1.45 0 C3'-C2'-C1' 99.708 -2.137 . . . . 2.55 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . 0.46 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.503 -1.305 0 O4'-C1'-C2' 103.91 -1.991 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.52 ' C8 ' ' H72' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.419 -1.342 0 O4'-C1'-C2' 103.83 -2.063 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.52 ' H72' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 C3'-C2'-C1' 99.76 -2.1 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.512 ' C2 ' ' C5 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C3'-C2'-C1' 99.722 -2.127 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.512 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.803 0 O4'-C1'-C2' 104.1 -1.818 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 C3'-C2'-C1' 99.834 -2.047 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 C3'-C2'-C1' 99.138 -2.544 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.999 0 C3'-C2'-C1' 99.28 -2.443 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C3'-C2'-C1' 99.163 -2.527 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.462 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.513 -0.59 0 O4'-C1'-C2' 103.829 -2.065 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.462 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.419 -1.293 0 C3'-C2'-C1' 98.577 -2.945 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.57 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.498 -1.644 0 C3'-C2'-C1' 100.093 -1.862 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.519 H5'' ' HG2' ' B' ' 54' ' ' GLN . . . . . . . . 0 P--O3' 1.588 -1.625 0 C3'-C2'-C1' 99.601 -2.214 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.584 H5'' ' HD3' ' B' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-C2' 104.048 -1.866 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . 0.402 " H1'" " H5'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.456 0.895 0 O4'-C1'-C2' 103.899 -2.001 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.402 " H5'" " H1'" ' C' ' 15' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.921 0 C3'-C2'-C1' 99.934 -1.975 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.501 -1.437 0 C3'-C2'-C1' 99.929 -1.979 . . . . 0.93 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.243 0 C3'-C2'-C1' 100.146 -1.824 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.198 0 C3'-C2'-C1' 99.818 -2.059 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.455 ' C6 ' ' H73' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.148 0 C3'-C2'-C1' 99.23 -2.479 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.534 ' C6 ' ' H73' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.13 0 C3'-C2'-C1' 99.55 -2.25 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.534 ' H73' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.726 0 C3'-C2'-C1' 99.068 -2.594 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 100.347 -1.681 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.111 0 C4'-C3'-C2' 102.053 -1.147 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.494 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 P--O3' 1.628 1.717 0 O4'-C1'-C2' 107.32 1.109 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.565 ' C6 ' ' H71' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C3'-C2'-C1' 104.447 1.248 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.565 ' H71' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.527 0.886 0 C3'-C2'-C1' 105.105 1.718 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.597 ' C8 ' ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.656 0 C5'-C4'-C3' 116.551 1.234 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.597 ' H72' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.465 1.241 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.489 ' H72' ' C6 ' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C3'-C2'-C1' 104.675 1.411 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.475 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C3'-C2'-C1' 104.217 1.084 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.49 H2'' ' OP2' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.535 0.742 0 C5'-C4'-O4' 107.65 -1.094 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.49 ' OP2' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.962 0 C5'-C4'-C3' 116.089 0.926 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.503 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.935 0 C3'-C2'-C1' 105.46 1.971 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.503 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C3'-C2'-C1' 101.34 -0.972 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.525 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.422 -1.137 0 O4'-C4'-C3' 106.93 1.33 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.519 ' P ' HD22 ' A' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-C1' 104.143 1.03 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.433 H2'' ' OP2' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 P--O3' 1.624 1.376 0 C3'-C2'-C1' 105.299 1.856 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.507 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.376 1.16 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.507 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C5'-C4'-C3' 116.365 1.11 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 C5'-C4'-C3' 116.631 1.287 . . . . 1.21 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.412 H2'' " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.627 0 O4'-C1'-C2' 107.232 1.029 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.496 H2'' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 C1'-O4'-C4' 110.857 0.826 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.496 ' C6 ' H2'' ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C5'-C4'-C3' 115.786 0.724 . . . . 1.82 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 N19-C1'-C2' 116.137 1.211 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 mtp . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.672 -0.122 . . . . 7.3 110.672 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -69.21 -59.01 5.49 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-O 119.497 -0.287 . . . . 6.26 110.757 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -89.67 152.32 5.16 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 121.965 1.777 . . . . 2.2 111.38 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.536 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 89.8 t -105.61 171.3 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 106.948 -1.501 . . . . 1.47 106.948 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.46 ' O ' HG21 ' A' ' 9' ' ' VAL . 6.8 p -135.63 163.07 30.97 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 118.16 0.436 . . . . 1.36 110.15 -176.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.622 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -63.62 -16.7 61.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.536 0.684 . . . . 1.24 109.212 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.536 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 47.1 m-85 -77.21 -40.42 45.12 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.275 -0.875 . . . . 0.82 110.184 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.56 -38.48 91.27 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.192 -1.04 . . . . 1.86 108.192 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 5' ' ' THR . 23.1 t -65.31 -42.9 94.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 112.944 -1.934 . . . . 1.31 109.078 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.61 97.31 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.699 -1.137 . . . . 1.25 110.899 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 9.3 mm-40 -69.05 -47.06 66.32 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.077 0.465 . . . . 2.41 110.286 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.76 -32.96 73.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.419 -0.81 . . . . 2.57 111.04 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.0 -20.49 23.21 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.842 -0.617 . . . . 1.32 111.529 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.61 40.6 14.77 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.212 -0.994 . . . . 0.72 110.637 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.8 m -136.24 -171.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.035 -0.583 . . . . 1.26 109.731 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.3 m -97.78 153.95 17.94 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.815 -0.809 . . . . 1.03 108.815 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.622 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 35.8 p90 -53.11 -45.59 68.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.357 -0.383 . . . . 2.26 111.204 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.434 ' CD ' ' H41' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -62.47 -23.48 66.93 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.792 -0.363 . . . . 2.69 111.352 176.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.5 m -70.12 -43.29 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.83 -0.804 . . . . 1.18 108.83 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.563 ' O ' HG21 ' A' ' 24' ' ' VAL . 79.6 t -58.79 -46.86 90.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.076 -0.965 . . . . 1.28 110.847 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.9 m -59.06 -28.88 66.87 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.776 0.322 . . . . 1.22 111.44 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -74.6 -28.95 61.13 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.988 -0.551 . . . . 3.12 109.823 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.44 HG23 HG13 ' A' ' 30' ' ' VAL . 95.4 t -79.3 -42.6 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.383 0.611 . . . . 1.33 109.826 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.563 HG21 ' O ' ' A' ' 20' ' ' VAL . 19.4 t -65.55 -53.48 38.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.948 -1.024 . . . . 1.37 111.66 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -82.62 -34.36 27.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.97 1.1 . . . . 1.24 113.97 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.686 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 43.0 mt-30 -125.41 -117.72 0.28 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 118.163 0.438 . . . . 5.01 111.196 -177.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 155.89 -29.64 0.0 OUTLIER 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.816 1.323 . . . . 3.09 111.985 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -42.87 -92.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.955 1.094 . . . . 2.08 113.955 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.561 ' HA ' H2'' ' C' ' 2' ' ' ' DA' . 3.0 m-70 -61.73 42.24 0.01 OUTLIER 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.806 1.242 . . . . 2.33 114.323 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.44 HG13 HG23 ' A' ' 23' ' ' VAL . 2.8 t -135.81 113.89 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.275 0 N-CA-C 108.475 -0.935 . . . . 1.54 108.475 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.465 ' HG ' " H3'" ' C' ' 3' ' ' ' DT' . 54.1 m -50.63 135.15 23.58 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 123.881 0.738 . . . . 1.42 109.644 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.25 -36.96 53.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.261 -0.427 . . . . 1.68 110.934 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -60.09 -37.69 80.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 3.58 111.471 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.532 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -91.23 -42.62 10.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.53 0.567 . . . . 1.56 112.53 -178.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 35' ' ' ARG . 36.9 ttp180 -55.54 -51.3 67.53 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.204 0.526 . . . . 4.14 112.043 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -69.58 -19.8 63.66 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.352 -0.84 . . . . 1.72 110.736 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -86.4 -28.86 23.3 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.191 -0.459 . . . . 1.95 110.033 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 34' ' ' THR . 83.2 t -74.08 -40.03 51.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.003 -0.74 . . . . 1.27 109.003 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -60.82 -32.02 71.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.626 . . . . 1.7 109.815 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -75.7 -29.81 59.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.054 -0.976 . . . . 1.38 110.726 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.636 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -65.4 -44.22 88.18 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.718 -0.475 . . . . 1.24 109.718 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 37.6 mtt -56.21 -26.53 51.41 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.298 -0.865 . . . . 1.29 112.758 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.68 -24.14 29.1 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.631 0.729 . . . . 1.33 110.397 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 35.3 mm-40 -72.89 -60.92 2.0 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.023 -0.989 . . . . 1.55 112.577 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -84.53 -5.98 59.34 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.539 -0.755 . . . . 2.37 112.167 -178.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.486 ' N ' HD22 ' A' ' 45' ' ' LEU . 72.9 m-20 69.87 66.4 0.23 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.528 0.517 . . . . 2.34 110.892 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.536 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.5 t80 -81.78 126.43 31.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.31 -0.405 . . . . 2.17 111.834 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.77 117.17 34.18 Favored Pre-proline 0 N--CA 1.443 -0.812 0 N-CA-C 109.497 -0.557 . . . . 1.99 109.497 177.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.01 121.44 10.0 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.144 2.563 . . . . 0.78 112.213 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -74.31 99.49 3.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.024 0.44 . . . . 0.69 111.684 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -58.94 -33.07 70.18 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.561 -0.745 . . . . 4.93 112.703 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -40.25 64.83 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 118.118 0.417 . . . . 0.7 110.469 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.503 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -68.39 -41.37 80.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.475 -0.935 . . . . 1.2 108.475 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -57.95 -28.94 64.78 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.947 -1.479 . . . . 1.82 109.931 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -83.57 -41.15 18.21 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.593 -0.276 . . . . 3.08 110.401 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.432 HD21 HD21 ' B' ' 56' ' ' LEU . 12.6 tp -56.53 -53.66 54.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.62 0.575 . . . . 1.24 110.886 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.23 -12.23 53.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.735 0.778 . . . . 1.23 109.378 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.47 -31.63 71.21 Favored Glycine 0 N--CA 1.438 -1.194 0 CA-C-N 114.328 -1.306 . . . . 1.86 114.516 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp 72.6 28.49 2.18 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.848 0.832 . . . . 6.73 109.275 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -113.56 -1.92 13.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.997 -1.001 . . . . 7.37 110.752 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -28.44 62.89 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.686 -0.688 . . . . 7.76 110.26 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.117 0 CA-C-N 115.125 -0.943 . . . . 9.67 109.209 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 110.244 -0.28 . . . . 6.87 110.244 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.51 ' HB3' ' HD3' ' B' ' 3' ' ' PRO . 22.4 tptm -65.99 -61.35 5.66 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-O 119.663 -0.208 . . . . 5.86 111.044 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.51 ' HD3' ' HB3' ' B' ' 2' ' ' LYS . 55.2 Cg_endo -74.64 113.76 3.87 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.296 1.33 . . . . 2.12 109.958 177.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.594 HG22 ' O ' ' B' ' 45' ' ' LEU . 20.4 t -81.56 153.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.091 -0.959 . . . . 1.33 109.546 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.489 ' O ' HG21 ' B' ' 9' ' ' VAL . 76.9 p -135.53 171.13 14.89 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.914 -0.585 . . . . 1.29 111.421 -176.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.673 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.5 OUTLIER -50.21 -29.78 10.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.125 0.488 . . . . 1.29 111.258 178.765 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.504 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 33.1 m-85 -71.86 -38.35 70.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.93 -0.577 . . . . 2.01 110.922 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.1 -31.62 70.46 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.605 0.717 . . . . 1.45 109.258 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.489 HG21 ' O ' ' B' ' 5' ' ' THR . 29.0 t -71.06 -45.13 73.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.692 -1.14 . . . . 1.22 110.684 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.89 -43.52 94.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.871 -0.604 . . . . 1.12 111.837 178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -62.11 -52.84 62.24 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.023 -0.535 . . . . 2.46 112.231 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -60.2 -48.97 79.49 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.825 0.676 . . . . 2.19 112.825 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.484 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -69.77 -19.82 63.5 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 112.437 0.532 . . . . 1.26 112.437 -177.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.91 47.46 19.41 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 119.87 -1.157 . . . . 1.09 111.622 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -132.65 165.13 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.238 0 N-CA-C 107.914 -1.143 . . . . 1.25 107.914 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.4 p -68.85 152.02 45.84 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.335 -1.357 . . . . 1.31 107.335 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -17.81 63.87 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 111.717 0.266 . . . . 2.42 111.717 -178.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -25.01 32.84 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.877 -0.786 . . . . 1.44 108.877 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.421 ' O ' HG21 ' B' ' 23' ' ' VAL . 19.7 m -62.59 -36.59 83.21 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.571 -0.74 . . . . 1.22 109.471 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.53 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 2.7 t -65.66 -47.75 85.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 114.641 -1.163 . . . . 1.78 109.2 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.7 t -56.34 -48.26 77.13 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.882 -1.155 . . . . 1.13 107.882 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -42.16 64.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.014 -0.994 . . . . 3.37 112.665 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.421 HG21 ' O ' ' B' ' 19' ' ' THR . 77.4 t -75.2 -33.15 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.169 0.509 . . . . 1.37 110.921 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 t -75.67 -33.14 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.809 -0.632 . . . . 1.33 110.897 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -76.12 -82.26 0.08 Allowed 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.581 0.705 . . . . 1.3 110.708 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -154.87 96.78 1.89 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.345 -1.298 . . . . 4.39 109.577 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.12 120.96 5.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.783 -0.644 . . . . 2.82 110.385 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -159.44 -46.11 0.05 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.895 -0.593 . . . . 1.96 111.136 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -103.13 39.1 1.62 Allowed 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.203 -1.036 . . . . 1.64 108.203 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -137.74 141.15 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.147 -0.933 . . . . 1.61 109.727 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.465 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 72.2 m -75.73 160.23 30.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.066 -0.515 . . . . 1.09 110.468 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.92 -51.89 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.819 0.342 . . . . 1.64 111.584 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -52.79 -59.51 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.518 -0.764 . . . . 3.67 110.937 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.465 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -52.84 -41.08 63.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.682 -1.145 . . . . 1.21 112.103 -179.077 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.574 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 21.9 ttp180 -63.15 -48.44 78.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.4 0.619 . . . . 4.13 110.802 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -75.14 -25.55 58.48 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.274 -0.876 . . . . 1.96 112.357 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.484 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 10.3 tppt? -68.33 -39.84 81.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.281 0.562 . . . . 2.4 109.695 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.442 ' O ' ' HG3' ' B' ' 42' ' ' MET . 73.9 t -70.15 -40.18 77.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.405 -0.816 . . . . 1.22 110.346 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 36.7 mt-10 -63.42 -40.78 98.1 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.057 -0.52 . . . . 1.68 110.04 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.06 -48.88 76.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.658 -0.701 . . . . 1.3 110.547 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.37 -30.21 27.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.298 -0.865 . . . . 1.29 111.779 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.442 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 58.1 mtt -62.18 -21.74 65.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.117 -0.492 . . . . 1.2 110.564 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.83 -51.41 5.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.348 -0.387 . . . . 1.34 110.823 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.59 -46.89 83.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.263 -0.88 . . . . 1.58 109.855 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.594 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -74.81 -21.87 59.05 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.781 -1.1 . . . . 1.76 110.936 179.256 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t30 64.93 45.61 3.13 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 107.063 -1.458 . . . . 1.3 107.063 -175.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.565 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.3 t80 -59.83 121.09 10.85 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 114.568 -1.196 . . . . 2.36 111.131 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.1 mm -127.05 106.02 22.16 Favored Pre-proline 0 N--CA 1.435 -1.191 0 N-CA-C 104.228 -2.508 . . . . 1.83 104.228 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.436 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 2.1 Cg_exo -34.03 126.29 0.17 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.944 3.096 . . . . 0.79 114.415 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.476 ' HB2' HG22 ' B' ' 5' ' ' THR . 38.8 t-20 -65.93 81.34 0.07 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.193 -0.912 . . . . 0.85 110.714 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -48.14 -25.63 1.55 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 114.259 1.207 . . . . 5.23 114.259 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 16.2 m -77.73 -52.47 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.556 -0.715 . . . . 0.75 110.959 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.56 -34.87 67.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.025 -0.534 . . . . 1.34 110.964 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.436 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 26.0 mt-30 -70.13 -28.32 65.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.914 -0.584 . . . . 1.04 111.938 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -81.26 -22.29 38.81 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.866 -1.161 . . . . 3.01 107.866 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.439 HD22 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.2 tp -85.39 -39.45 17.58 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.028 -0.987 . . . . 1.26 111.133 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.96 2.49 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.268 0.47 . . . . 1.29 112.268 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.94 54.65 5.21 Favored Glycine 0 CA--C 1.517 0.184 0 C-N-CA 120.9 -0.667 . . . . 1.6 113.542 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -137.03 122.02 18.94 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.168 -0.679 . . . . 5.31 109.168 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 65.98 10.15 6.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.488 -0.778 . . . . 7.24 110.954 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -83.06 -3.06 56.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 6.58 111.858 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.631 -0.699 . . . . 8.7 110.183 -179.046 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . 0.471 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.501 -1.412 0 C3'-C2'-C1' 99.127 -2.552 . . . . 2.55 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . 0.471 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.92 0 C3'-C2'-C1' 99.176 -2.517 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.561 H2'' ' HA ' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 C3'-C2'-C1' 98.699 -2.858 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.534 " H1'" " H5'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C3'-C2'-C1' 99.708 -2.137 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.578 ' C2 ' ' N7 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.083 0 C3'-C2'-C1' 99.659 -2.172 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.578 ' N7 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.942 0 C3'-C2'-C1' 99.995 -1.932 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.132 0 C3'-C2'-C1' 99.646 -2.182 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . 0.49 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.137 0 C3'-C2'-C1' 99.357 -2.388 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . 0.49 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 99.666 -2.167 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . 0.569 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.582 0 C3'-C2'-C1' 99.005 -2.639 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.569 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.511 -0.728 0 O4'-C1'-C2' 103.95 -1.955 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.488 ' O6 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.493 -2.006 0 C3'-C2'-C1' 98.998 -2.644 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.504 " H2'" ' CE1' ' B' ' 7' ' ' TYR . . . . . . . . 0 C2'--C1' 1.496 -1.768 0 O4'-C1'-C2' 104.072 -1.844 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.673 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 P--O3' 1.596 -0.911 0 C3'-C2'-C1' 99.518 -2.273 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C5'-C4'-C3' 117.727 2.018 . . . . 1.18 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.853 0 C3'-C2'-C1' 99.729 -2.122 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.481 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.505 -1.156 0 C3'-C2'-C1' 99.988 -1.937 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.481 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.258 0 C3'-C2'-C1' 99.697 -2.145 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.444 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.804 0 C3'-C2'-C1' 99.712 -2.135 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.823 0 O4'-C1'-C2' 103.894 -2.005 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 C3'-C2'-C1' 99.939 -1.972 . . . . 1.67 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.935 0 C3'-C2'-C1' 99.256 -2.46 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.981 0 C3'-C2'-C1' 99.261 -2.457 . . . . 2.28 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.846 0 C5'-C4'-C3' 116.315 1.077 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C4'-C3'-C2' 102.063 -1.137 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.587 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C5'-C4'-C3' 116.558 1.239 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.587 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C1'-O4'-C4' 111.179 1.057 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.417 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.527 0.893 0 C3'-C2'-C1' 104.962 1.616 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.509 " C2'" ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 C5'-C4'-C3' 116.117 0.945 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.509 ' H72' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 C4'-C3'-C2' 104.005 0.805 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.43 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C5'-C4'-C3' 116.38 1.12 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.506 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C5'-C4'-C3' 116.843 1.429 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.506 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.512 -0.649 0 C4'-C3'-C2' 104.127 0.927 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.453 H2'' ' OP2' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 107.155 0.959 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.554 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.896 0 C3'-C2'-C1' 105.427 1.948 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.559 ' C5 ' ' C4 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 P--O3' 1.614 0.592 0 C3'-C2'-C1' 101.168 -1.094 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.559 ' C4 ' ' C5 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C3'-C2'-C1' 105.147 1.748 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.624 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C3'-C2'-C1' 105.279 1.842 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.624 ' C6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 108.03 1.754 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.478 ' C2 ' ' C2 ' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.922 0 O4'-C1'-C2' 104.784 -1.197 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.478 ' C2 ' ' C2 ' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O3'-P-O5' 102.489 -0.795 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.488 ' C6 ' ' N6 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.561 0 C5'-C4'-C3' 116.301 1.067 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.565 ' C8 ' ' H71' ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 102.262 -0.938 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.565 ' H71' ' C8 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C5'-C4'-O4' 108.451 -0.593 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.484 ' H72' ' C6 ' ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C4'-C3'-C2' 102.114 -1.086 . . . . 1.82 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . 0.462 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 N19-C1'-C2' 116.127 1.204 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 mmt . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.292 0.092 . . . . 7.3 110.754 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.526 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 47.1 tptt -68.1 -50.64 30.03 Favored Pre-proline 0 C--N 1.332 -0.181 0 C-N-CA 120.725 -0.39 . . . . 6.26 111.474 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 2' ' ' LYS . 29.7 Cg_endo -64.44 179.03 1.37 Allowed 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 121.517 1.478 . . . . 2.2 113.333 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.596 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 43.8 t -116.29 -179.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 106.453 -1.684 . . . . 1.47 106.453 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.613 HG22 ' P ' ' D' ' 12' ' ' ' DG' . 8.4 p -140.14 165.5 27.19 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 118.679 0.672 . . . . 1.36 110.398 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -63.78 -20.91 66.14 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.08 -0.964 . . . . 1.24 109.937 177.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -76.1 -36.56 58.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 116.309 -0.405 . . . . 0.82 110.301 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.59 -40.6 95.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.761 -1.2 . . . . 1.86 107.761 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.482 HG23 ' CD2' ' A' ' 47' ' ' TYR . 39.5 t -64.27 -46.28 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 113.942 -1.481 . . . . 1.31 109.7 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -63.1 -39.19 93.96 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.596 -1.184 . . . . 1.25 111.179 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -66.93 -49.99 63.77 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.127 0.489 . . . . 2.41 110.019 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -59.37 -34.47 72.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.718 -0.673 . . . . 2.57 111.092 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -87.82 -19.77 26.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.008 -0.996 . . . . 1.32 112.048 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.54 32.76 54.07 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.182 -1.167 . . . . 0.72 110.182 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.44 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 29.1 m -124.16 -169.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 114.948 -0.626 . . . . 1.26 110.228 -177.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.45 ' OG ' " H2'" ' C' ' 5' ' ' ' DG' . 39.9 m -100.54 150.49 22.63 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.27 -1.011 . . . . 1.03 108.27 178.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.492 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.4 p90 -52.45 -39.19 60.79 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.206 -0.598 . . . . 2.26 111.004 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' NE2' ' HG3' ' A' ' 22' ' ' ARG . 8.0 tp60 -65.32 -27.22 68.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 120.567 -0.453 . . . . 2.69 111.372 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.419 ' O ' HG22 ' A' ' 23' ' ' VAL . 85.1 m -65.29 -41.44 94.14 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.561 -0.903 . . . . 1.18 108.561 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.429 ' O ' HG21 ' A' ' 24' ' ' VAL . 80.5 t -63.91 -55.06 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.623 -1.171 . . . . 1.28 110.086 176.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m -58.38 -26.4 63.15 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.31 -0.405 . . . . 1.22 112.048 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.471 ' HG3' ' NE2' ' A' ' 18' ' ' GLN . 23.2 mtm-85 -68.81 -32.09 71.56 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.404 -0.591 . . . . 3.12 109.404 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 19' ' ' THR . 58.2 t -85.95 -42.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.703 -0.68 . . . . 1.33 111.083 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 20' ' ' VAL . 21.8 t -63.34 -47.55 91.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.561 -0.745 . . . . 1.37 111.592 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.48 ' C ' ' HG2' ' A' ' 26' ' ' GLN . 9.2 m-80 -66.64 -43.09 85.57 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.77 -0.65 . . . . 1.24 112.501 -178.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.48 ' HG2' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -166.15 -67.08 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.476 0.547 . . . . 5.01 112.476 -178.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 97.86 145.91 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 125.749 1.619 . . . . 3.09 112.396 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 t -171.64 -89.26 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.274 -1.33 . . . . 2.08 107.844 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.538 ' HB3' ' C7 ' ' C' ' 3' ' ' ' DT' . 13.1 m170 -66.56 52.48 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.596 1.158 . . . . 2.33 112.381 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -140.57 129.95 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 N-CA-C 107.229 -1.397 . . . . 1.54 107.229 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.492 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 36.2 m -60.21 132.72 54.81 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 109.343 -0.614 . . . . 1.42 109.343 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.606 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -52.43 -36.97 55.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 1.68 111.097 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -59.67 -42.78 93.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.596 -0.729 . . . . 3.58 110.314 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' A' ' 31' ' ' SER . 0.0 OUTLIER -72.27 -39.87 68.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.711 -0.222 . . . . 1.56 111.2 -179.066 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 41.5 mtm-85 -55.89 -48.78 75.01 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.271 0.557 . . . . 4.14 111.609 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 14.2 mt-10 -68.96 -19.79 64.17 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.984 -1.007 . . . . 1.72 110.929 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -86.44 -32.24 20.96 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.579 -0.282 . . . . 1.95 110.417 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.423 HG11 ' HA ' ' A' ' 20' ' ' VAL . 53.6 t -74.6 -43.2 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.359 -0.608 . . . . 1.27 109.359 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.451 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 33.8 mt-10 -66.05 -21.7 66.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.18 -0.918 . . . . 1.7 110.177 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.709 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -82.67 -35.72 26.59 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.195 -0.911 . . . . 1.38 109.251 177.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.68 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -68.24 -46.21 71.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.282 -0.417 . . . . 1.24 110.266 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.573 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.8 ptp -68.16 -17.96 64.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.398 -0.819 . . . . 1.29 111.424 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.28 -24.11 27.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.305 -0.628 . . . . 1.33 109.305 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.709 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 48.4 mm-40 -72.45 -63.12 1.22 Allowed 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 114.995 -1.002 . . . . 1.55 112.509 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -77.75 -0.78 28.3 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.289 -0.869 . . . . 2.37 111.384 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.403 ' N ' HD22 ' A' ' 45' ' ' LEU . 6.4 t-20 66.11 65.53 0.51 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.697 0.76 . . . . 2.34 111.937 176.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.596 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.0 t80 -84.23 125.39 32.17 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.071 -0.968 . . . . 2.17 112.28 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -112.13 114.28 51.24 Favored Pre-proline 0 N--CA 1.443 -0.798 0 CA-C-N 114.861 -1.063 . . . . 1.99 109.47 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -60.55 115.08 2.43 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 121.858 1.706 . . . . 0.78 110.962 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -76.71 103.61 6.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.49 0.662 . . . . 0.69 111.512 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -65.79 -16.42 63.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 4.93 110.642 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.36 -45.43 62.88 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.367 -0.605 . . . . 0.7 109.367 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.536 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -67.42 -38.03 83.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.343 -0.844 . . . . 1.2 109.64 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.509 ' HG3' H5'' ' D' ' 14' ' ' ' DT' . 18.3 tt0 -61.89 -44.65 96.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.068 -0.969 . . . . 1.82 110.149 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -62.47 -29.02 70.22 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.085 0.469 . . . . 3.08 110.606 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 tp -77.6 -45.53 24.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.977 -0.556 . . . . 1.24 110.842 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.28 -19.72 61.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.88 -0.6 . . . . 1.23 111.327 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 61' ' ' SER . . . -91.43 96.48 2.19 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.926 -0.654 . . . . 1.86 111.97 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -53.86 -39.46 65.68 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.668 0.746 . . . . 6.73 110.33 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -135.05 30.26 3.34 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.227 -0.897 . . . . 7.37 110.547 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.422 ' O ' ' HA3' ' A' ' 58' ' ' GLY . 74.7 m -145.98 128.17 15.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.908 -0.587 . . . . 7.76 111.556 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 31.6 mt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.177 -0.916 . . . . 9.67 109.333 178.546 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.9 ttt . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 121.088 0.471 . . . . 6.87 110.07 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -105.31 140.44 21.13 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 115.63 -0.713 . . . . 5.86 110.261 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.04 116.51 3.96 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.2 1.933 . . . . 2.12 111.057 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.606 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 4.9 t -127.82 174.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.455 -0.793 . . . . 1.33 109.947 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.728 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 17.4 p -136.06 161.75 34.82 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 119.388 -0.339 . . . . 1.29 111.568 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.83 -29.56 55.24 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 123.657 0.598 . . . . 1.29 111.278 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.52 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 26.6 m-85 -67.98 -36.97 80.92 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 116.228 -0.442 . . . . 2.01 110.95 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -71.63 -26.71 62.67 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.466 -0.494 . . . . 1.45 109.969 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.0 -44.43 50.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-N 115.925 -0.58 . . . . 1.22 110.047 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.03 -52.71 64.18 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.087 -0.96 . . . . 1.12 111.0 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.23 -51.77 68.35 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.786 -1.097 . . . . 2.46 111.773 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.481 ' CB ' HD13 ' B' ' 45' ' ' LEU . 24.8 t80 -61.17 -53.83 52.05 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.642 0.608 . . . . 2.19 112.642 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.04 69.44 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 120.815 0.34 . . . . 1.26 111.874 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.68 51.49 4.04 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.761 -0.733 . . . . 1.09 111.4 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.2 m -136.56 163.93 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.809 0 N-CA-C 108.407 -0.96 . . . . 1.25 108.407 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 30.6 p -67.06 157.31 33.86 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.498 -1.297 . . . . 1.31 107.498 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.452 ' OH ' ' N7 ' ' C' ' 13' ' ' ' DA' . 0.0 OUTLIER -71.03 -13.39 61.97 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.84 0.352 . . . . 2.42 110.217 -178.229 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -85.49 -40.7 16.07 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.306 -1.368 . . . . 1.44 107.306 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -49.74 -35.39 22.0 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.117 -1.402 . . . . 1.22 110.627 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.55 -49.43 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.019 -0.991 . . . . 1.78 110.072 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.3 m -52.49 -49.24 65.12 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.247 -1.39 . . . . 1.13 107.247 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -53.04 -46.06 68.3 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 113.711 -1.586 . . . . 3.37 112.861 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.07 -34.8 46.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.58 -0.282 . . . . 1.37 110.892 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.21 -30.45 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-N 115.52 -0.764 . . . . 1.33 111.405 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -97.5 -83.43 0.4 Allowed 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 112.719 0.637 . . . . 1.3 112.719 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -149.97 93.65 2.05 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.363 -0.835 . . . . 4.39 109.703 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.1 124.44 10.18 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.619 -0.719 . . . . 2.82 109.68 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.35 -42.66 1.66 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.322 0.582 . . . . 1.96 111.308 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -122.46 37.94 4.27 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.325 -0.852 . . . . 1.64 108.905 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.13 125.64 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.112 -0.949 . . . . 1.61 111.333 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.479 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 57.3 m -62.74 157.17 21.73 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.61 -0.723 . . . . 1.09 110.578 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.83 -58.3 8.44 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.11 0.782 . . . . 1.64 113.11 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -53.21 -49.5 66.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.313 -0.403 . . . . 3.67 111.711 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.492 ' O ' HG22 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -59.43 -33.86 71.79 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 123.601 0.563 . . . . 1.21 111.84 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 36.5 ttp85 -72.82 -42.4 63.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.245 0.545 . . . . 4.13 109.817 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.6 -39.03 77.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.52 -0.763 . . . . 1.96 111.951 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -59.48 -43.37 93.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.279 -0.873 . . . . 2.4 111.542 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' B' ' 42' ' ' MET . 87.5 t -68.22 -37.13 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 CA-C-N 115.618 -0.719 . . . . 1.22 110.761 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.97 -34.87 77.38 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.537 -0.756 . . . . 1.68 109.623 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.93 70.33 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.215 0.531 . . . . 1.3 110.658 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.507 ' O ' HD12 ' B' ' 45' ' ' LEU . . . -55.16 -28.81 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.775 -1.102 . . . . 1.29 112.555 178.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.54 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 67.0 mtt -65.54 -20.4 66.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.005 -0.543 . . . . 1.2 110.136 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.85 -54.11 4.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.795 -0.639 . . . . 1.34 111.947 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.47 -56.12 15.07 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.203 1.001 . . . . 1.58 111.884 -179.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.507 HD12 ' O ' ' B' ' 41' ' ' ALA . 2.4 mt -76.91 -8.05 56.66 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.438 -1.71 . . . . 1.76 112.87 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.513 ' O ' HG12 ' B' ' 48' ' ' ILE . 6.1 t-20 57.21 47.21 17.44 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.397 0.618 . . . . 1.3 109.435 -177.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.606 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.0 t80 -57.15 125.82 24.42 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.997 -1.001 . . . . 2.36 109.224 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.513 HG12 ' O ' ' B' ' 46' ' ' ASN . 29.3 mm -134.7 100.36 12.31 Favored Pre-proline 0 N--CA 1.429 -1.5 0 N-CA-C 104.269 -2.493 . . . . 1.83 104.269 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.453 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.1 OUTLIER -30.05 127.65 0.06 OUTLIER 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 124.729 3.62 . . . . 0.79 115.58 -176.641 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.589 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 39.2 t-20 -62.33 87.78 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 115.856 -0.611 . . . . 0.85 109.58 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -53.72 -27.56 28.94 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.991 1.108 . . . . 5.23 113.991 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 56.3 m -77.92 -60.82 2.21 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 111.976 0.362 . . . . 0.75 111.976 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.66 99.35 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.109 -0.496 . . . . 1.34 111.313 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.589 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 47.8 mt-30 -56.57 -59.1 5.49 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.312 -0.858 . . . . 1.04 110.07 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -51.1 -27.73 9.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.241 -0.436 . . . . 3.01 110.946 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 53' ' ' ALA . 2.0 tp -75.43 -46.47 32.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.002 -0.545 . . . . 1.26 110.206 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.1 6.29 3.59 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.852 0.686 . . . . 1.29 112.852 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.71 36.61 6.38 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 119.876 -1.154 . . . . 1.6 114.562 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -69.32 133.97 48.52 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.846 -0.427 . . . . 5.31 109.846 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.48 65.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.325 0.583 . . . . 7.24 111.95 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.3 m -145.0 -6.85 0.65 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.765 -0.652 . . . . 6.58 110.732 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 C--O 1.246 0.892 0 N-CA-C 108.742 -0.836 . . . . 8.7 108.742 -179.147 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.5 -1.523 0 C3'-C2'-C1' 99.065 -2.597 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.501 -1.453 0 C3'-C2'-C1' 99.69 -2.15 . . . . 2.25 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.522 ' C8 ' ' H71' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.995 0 C3'-C2'-C1' 98.798 -2.787 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.538 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 103.932 -1.971 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.441 ' C2 ' ' C5 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 99.311 -2.421 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.462 ' C2 ' ' C2 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.038 0 C3'-C2'-C1' 100.23 -1.764 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.904 0 C3'-C2'-C1' 99.751 -2.106 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.037 0 C3'-C2'-C1' 99.629 -2.194 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.022 0 C3'-C2'-C1' 99.711 -2.135 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 C3'-C2'-C1' 98.688 -2.866 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.46 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C5'-C4'-C3' 117.709 2.006 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.46 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.497 -1.742 0 C3'-C2'-C1' 98.916 -2.703 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.728 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.497 -1.707 0 C3'-C2'-C1' 99.169 -2.522 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.478 " C5'" ' HG2' ' B' ' 54' ' ' GLN . . . . . . . . 0 P--OP1 1.497 0.726 0 C3'-C2'-C1' 99.626 -2.196 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-C2' 103.898 -2.002 . . . . 1.18 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.942 0 C3'-C2'-C1' 100.012 -1.92 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.454 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C1'-C2' 103.868 -2.029 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.454 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 C3'-C2'-C1' 100.028 -1.909 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.207 0 C3'-C2'-C1' 99.552 -2.249 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.424 " H1'" " H5'" ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.905 0 O4'-C1'-C2' 104.033 -1.879 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.433 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.022 0 O4'-C1'-C2' 103.694 -2.187 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.44 ' C6 ' ' H73' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-C1' 99.292 -2.435 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.44 ' H73' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.861 0 C3'-C2'-C1' 99.261 -2.456 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.511 -0.748 0 C3'-C2'-C1' 100.898 -1.287 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C5'-C4'-O4' 108.093 -0.817 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.52 H2'' H5'' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C4'-C3' 104.431 -1.169 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.52 H5'' H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C4'-C3'-C2' 101.53 -1.67 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.458 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.529 1.116 0 C3'-C2'-C1' 105.332 1.88 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.458 " O5'" H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.807 0 C4'-C3'-C2' 104.547 1.347 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.418 ' H72' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C1'-C2' 106.93 0.755 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.426 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-C2' 107.411 1.192 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.507 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C3'-C2'-C1' 104.196 1.069 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.507 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.912 0 O4'-C1'-N19 108.603 1.004 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.5 ' C6 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 C3'-C2'-C1' 104.114 1.01 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.548 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.904 0 C3'-C2'-C1' 106.442 2.673 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.613 ' P ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.51 -0.775 0 C4'-C3'-C2' 103.76 0.56 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.536 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C5'-C4'-C3' 117.103 1.602 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.509 H5'' ' HG3' ' A' ' 54' ' ' GLN . . . . . . . . 0 P--O3' 1.622 1.275 0 OP2-P-O3' 110.098 0.562 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.482 " H5'" " H1'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 C3'-C2'-C1' 105.479 1.985 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.494 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.562 0 C3'-C2'-C1' 101.823 -0.627 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.494 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 P-O5'-C5' 119.628 -0.795 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.468 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C4'-C3'-C2' 102.275 -0.925 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.584 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 N19-C1'-C2' 112.712 -0.93 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.584 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C4'-C3' 106.557 0.957 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.507 ' H73' ' C6 ' ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C5'-C4'-O4' 108.061 -0.837 . . . . 1.82 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . 0.428 ' C6 ' H2'' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.051 0.865 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 121.227 0.537 . . . . 7.3 111.731 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 3' ' ' PRO . 47.8 tttm -122.81 100.71 40.25 Favored Pre-proline 0 C--N 1.309 -1.174 0 N-CA-C 109.138 -0.69 . . . . 6.26 109.138 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 2' ' ' LYS . 34.7 Cg_endo -65.85 130.05 23.63 Favored 'Trans proline' 0 CA--C 1.517 -0.338 0 C-N-CA 122.564 2.176 . . . . 2.2 111.235 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.533 ' O ' ' HD1' ' A' ' 47' ' ' TYR . 65.0 t -117.92 125.21 74.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.777 -1.194 . . . . 1.47 107.777 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.626 HG22 ' P ' ' D' ' 12' ' ' ' DG' . 18.0 p -99.98 178.27 4.85 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 113.228 0.825 . . . . 1.36 113.228 -176.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.497 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.47 -17.46 64.81 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.657 -1.156 . . . . 1.24 109.835 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -76.04 -41.14 51.74 Favored 'General case' 0 N--CA 1.46 0.06 0 CA-C-N 116.219 -0.446 . . . . 0.82 110.526 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -64.88 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 122.649 1.214 . . . . 1.86 107.792 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 5' ' ' THR . 42.6 t -66.15 -48.24 82.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 112.868 -1.969 . . . . 1.31 110.264 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.98 -39.03 80.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 1.25 111.22 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -49.99 57.57 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.708 -0.678 . . . . 2.41 111.161 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.462 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 70.5 t80 -66.76 -24.74 66.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.561 -0.29 . . . . 2.57 111.682 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.91 -24.49 22.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.851 0.834 . . . . 1.32 110.525 -177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.45 43.65 15.11 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 110.423 -1.071 . . . . 0.72 110.423 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.5 m -135.05 -167.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.714 -0.743 . . . . 1.26 110.057 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.1 p -97.88 151.98 19.68 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.246 -1.39 . . . . 1.03 107.246 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.497 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 16.5 p90 -55.03 -38.2 67.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 109.473 -0.565 . . . . 2.26 109.473 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.503 ' CD ' ' H41' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -63.77 -33.68 76.2 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.456 -0.793 . . . . 2.69 111.462 177.182 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.4 m -64.12 -40.98 97.34 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.107 -0.701 . . . . 1.18 109.107 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 24' ' ' VAL . 43.5 t -59.97 -51.33 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 115.624 -0.716 . . . . 1.28 110.17 177.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -30.55 70.44 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.522 -0.763 . . . . 1.22 110.459 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 39.1 mtt180 -69.74 -31.77 69.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.658 -0.867 . . . . 3.12 108.658 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.53 ' CG2' ' HA ' ' A' ' 35' ' ' ARG . 78.0 t -80.12 -40.44 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-O 120.828 0.347 . . . . 1.33 110.736 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 20' ' ' VAL . 40.2 t -61.36 -41.21 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-O 121.74 0.781 . . . . 1.37 109.051 178.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -71.32 -33.97 70.13 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.387 -1.279 . . . . 1.24 111.61 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 21.9 mt-30 65.72 53.49 1.18 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.23 0.612 . . . . 5.01 112.136 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.04 -161.27 0.76 Allowed 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.869 -0.605 . . . . 3.09 111.788 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.2 p -91.93 -173.88 3.63 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.61 -0.723 . . . . 2.08 109.762 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.8 m170 61.31 25.05 15.07 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 122.02 0.914 . . . . 2.33 110.471 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 22' ' ' ARG . 59.5 t -136.85 126.49 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 114.788 -1.096 . . . . 1.54 110.382 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.564 ' HG ' " H3'" ' C' ' 3' ' ' ' DT' . 58.4 m -74.02 142.96 45.73 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.599 0.714 . . . . 1.42 111.052 178.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.78 -30.58 70.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.921 -0.581 . . . . 1.68 110.712 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -60.0 -52.13 66.69 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.197 0.522 . . . . 3.58 110.353 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.511 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -66.62 -36.19 81.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.209 -0.45 . . . . 1.56 111.274 -179.445 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.53 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 38.8 ttp180 -59.13 -45.69 90.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.332 -0.395 . . . . 4.14 111.51 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.13 -27.07 62.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.898 0.703 . . . . 1.72 112.898 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -82.11 -25.07 34.76 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.489 0.662 . . . . 1.95 110.96 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 34' ' ' THR . 69.1 t -80.91 -40.62 18.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.277 -0.874 . . . . 1.27 109.369 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.87 -34.47 73.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.111 -0.95 . . . . 1.7 109.792 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.73 -38.03 79.89 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.509 -1.223 . . . . 1.38 110.204 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.53 89.36 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.327 -0.852 . . . . 1.24 110.614 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.444 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 23.7 mtt -61.29 -27.91 68.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.864 0.69 . . . . 1.29 112.864 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.29 -32.39 24.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.589 0.709 . . . . 1.33 110.34 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' HG3' ' CE2' ' A' ' 12' ' ' TYR . 21.1 mm-40 -65.64 -57.63 7.64 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-N 114.697 -1.138 . . . . 1.55 110.576 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.92 -9.11 59.46 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.288 -1.324 . . . . 2.37 112.543 -177.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.4 m120 62.21 58.81 1.72 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.84 0.829 . . . . 2.34 109.091 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.533 ' HD1' ' O ' ' A' ' 4' ' ' VAL . 5.7 t80 -76.35 125.45 29.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.667 -1.151 . . . . 2.17 111.315 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -106.52 113.1 63.45 Favored Pre-proline 0 N--CA 1.441 -0.908 0 N-CA-C 109.179 -0.674 . . . . 1.99 109.179 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.04 126.76 17.85 Favored 'Trans proline' 0 N--CA 1.475 0.421 0 C-N-CA 122.832 2.355 . . . . 0.78 111.888 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -85.45 98.6 10.69 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.504 0.668 . . . . 0.69 112.065 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -19.15 63.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.487 -0.779 . . . . 4.93 111.057 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.46 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -77.85 -37.36 48.54 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.261 -0.882 . . . . 0.7 110.003 -179.741 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.506 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -78.41 -41.97 31.54 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.301 0.572 . . . . 1.2 109.978 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.434 ' N ' " H4'" ' D' ' 13' ' ' ' DC' . 0.0 OUTLIER -61.43 -31.6 71.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.566 -0.743 . . . . 1.82 110.21 179.218 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.59 -25.95 50.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.287 -0.634 . . . . 3.08 109.287 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.444 HD22 ' CD2' ' B' ' 56' ' ' LEU . 11.2 tp -63.13 -53.65 50.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.559 -0.746 . . . . 1.24 110.199 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.64 -15.04 58.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.491 0.662 . . . . 1.23 110.501 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.91 -137.62 9.75 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 115.464 -0.789 . . . . 1.86 111.468 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.567 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 28.6 mmtp -124.67 171.73 9.84 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.443 0.163 . . . . 6.73 110.591 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.567 ' HB2' ' O ' ' A' ' 59' ' ' LYS . 2.1 mp0 76.44 32.02 0.58 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.927 0.767 . . . . 7.37 110.623 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.52 -66.57 0.79 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.916 -0.584 . . . . 7.76 110.253 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.354 -0.831 . . . . 9.67 110.953 179.51 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tmt? . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 109.852 -0.425 . . . . 6.87 109.852 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.417 ' CB ' ' HD3' ' B' ' 3' ' ' PRO . 4.1 mmtm -121.04 -58.64 0.03 OUTLIER Pre-proline 0 C--N 1.32 -0.706 0 CA-C-O 119.513 -0.28 . . . . 5.86 111.017 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.417 ' HD3' ' CB ' ' B' ' 2' ' ' LYS . 2.5 Cg_endo -81.06 157.88 20.43 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 121.524 1.482 . . . . 2.12 112.032 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.655 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 54.5 t -107.07 164.15 4.84 Favored 'Isoleucine or valine' 0 C--O 1.243 0.745 0 N-CA-C 108.866 -0.79 . . . . 1.33 108.866 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.667 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 32.4 p -132.9 162.26 32.07 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 119.978 -0.689 . . . . 1.29 110.279 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.53 -28.31 59.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.672 0.272 . . . . 1.29 110.905 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.548 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 21.7 m-85 -67.76 -35.0 77.92 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.629 0.728 . . . . 2.01 111.139 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -71.12 -34.46 71.09 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.26 -0.645 . . . . 1.45 109.26 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.445 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 60.5 t -68.67 -40.9 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.219 -0.9 . . . . 1.22 110.848 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.44 -52.23 64.34 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.499 -0.773 . . . . 1.12 111.446 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.28 -49.53 77.26 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.238 -0.892 . . . . 2.46 112.603 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -57.91 -43.53 86.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.435 0.531 . . . . 2.19 112.435 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.405 ' HB1' ' CG ' ' B' ' 37' ' ' LYS . . . -75.64 -21.94 57.25 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.675 -0.41 . . . . 1.26 111.502 -177.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.81 46.44 5.99 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.76 -0.733 . . . . 1.09 112.71 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.457 ' HB ' HG23 ' B' ' 19' ' ' THR . 18.7 m -135.24 167.29 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 N-CA-C 108.438 -0.949 . . . . 1.25 108.438 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.7 m -74.41 163.79 27.37 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 120.182 -0.607 . . . . 1.31 109.657 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.457 ' OH ' ' C5 ' ' C' ' 13' ' ' ' DA' . 0.2 OUTLIER -64.49 -40.73 96.21 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 120.873 0.368 . . . . 2.42 110.771 -178.314 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -62.06 -31.98 72.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.231 -0.918 . . . . 1.44 111.03 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.457 HG23 ' HB ' ' B' ' 15' ' ' VAL . 5.7 m -59.8 -49.9 75.91 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.646 0.779 . . . . 1.22 112.071 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.498 HG23 ' CG1' ' B' ' 38' ' ' VAL . 5.3 p -62.95 -43.8 99.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 115.75 -0.659 . . . . 1.78 111.242 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.44 ' CB ' ' H71' ' C' ' 14' ' ' ' DT' . 0.4 OUTLIER -55.69 -48.83 74.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.146 -1.057 . . . . 1.13 108.146 177.44 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -52.4 -37.14 55.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.848 -1.069 . . . . 3.37 112.483 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.3 t -69.16 -40.58 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.437 -0.579 . . . . 1.37 109.437 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.13 -35.89 73.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-O 121.627 0.727 . . . . 1.33 109.181 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -9.36 58.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.803 -0.635 . . . . 1.3 110.903 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 55.74 44.14 26.74 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.994 -0.743 . . . . 4.39 108.994 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.94 161.79 25.72 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.863 -1.062 . . . . 2.82 111.259 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -28.02 27.9 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.409 -0.814 . . . . 1.96 111.898 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -83.66 47.04 1.23 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.066 -0.516 . . . . 1.64 110.982 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -137.28 120.6 21.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.09 -0.504 . . . . 1.61 109.951 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.439 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 69.9 m -66.74 151.96 46.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.078 -0.51 . . . . 1.09 110.339 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.59 75.92 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 120.694 0.283 . . . . 1.64 111.618 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -58.62 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.316 0.579 . . . . 3.67 111.656 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.453 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -56.52 -40.63 75.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.421 -1.263 . . . . 1.21 111.507 179.691 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 tpp85 -61.46 -50.35 73.13 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 123.289 0.368 . . . . 4.13 110.852 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.08 -31.59 71.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.974 -0.557 . . . . 1.96 112.455 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.405 ' CG ' ' HB1' ' B' ' 13' ' ' ALA . 2.1 ttpt -63.9 -40.77 97.26 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.933 0.873 . . . . 2.4 110.139 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.498 ' CG1' HG23 ' B' ' 20' ' ' VAL . 98.0 t -72.54 -43.07 63.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.845 -1.071 . . . . 1.22 111.412 -178.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -64.0 -34.9 79.05 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.13 0.49 . . . . 1.68 110.231 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.45 -46.24 67.2 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.823 -0.626 . . . . 1.3 110.044 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.91 -30.19 57.86 Favored 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 123.54 0.525 . . . . 1.29 111.605 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.465 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 63.3 mtt -63.03 -22.53 66.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.921 0.763 . . . . 1.2 110.009 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.95 -46.95 8.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 O-C-N 123.461 0.475 . . . . 1.34 110.769 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -44.46 85.96 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.808 -0.812 . . . . 1.58 108.808 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.641 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -74.61 -19.51 60.28 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 114.848 -1.069 . . . . 1.76 113.296 -179.326 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.407 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.8 OUTLIER 64.59 41.9 5.15 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 107.098 -1.445 . . . . 1.3 107.098 -175.385 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.655 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -55.21 124.8 18.13 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 114.223 -1.353 . . . . 2.36 111.607 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.407 HG12 ' O ' ' B' ' 46' ' ' ASN . 17.6 mm -134.53 99.58 12.93 Favored Pre-proline 0 N--CA 1.439 -0.996 0 N-CA-C 103.645 -2.724 . . . . 1.83 103.645 176.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -31.49 127.84 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 124.744 3.629 . . . . 0.79 115.595 -175.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.412 HD21 " C5'" ' C' ' 12' ' ' ' DG' . 50.5 t-20 -71.0 78.2 0.65 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 114.953 -1.022 . . . . 0.85 110.061 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.594 ' O ' ' HG3' ' B' ' 55' ' ' GLN . 8.0 tpp180 -52.79 -16.71 1.06 Allowed 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 115.18 -0.918 . . . . 5.23 113.018 -177.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.46 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 68.9 m -67.86 -60.99 2.09 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 121.488 0.661 . . . . 0.75 109.732 178.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.428 ' HB1' " H4'" ' C' ' 12' ' ' ' DG' . . . -79.51 -25.67 41.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.259 -0.882 . . . . 1.34 111.126 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.505 ' HB2' ' HA ' ' B' ' 51' ' ' ARG . 3.6 mt-30 -61.78 -36.28 80.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.024 -0.534 . . . . 1.04 110.135 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.594 ' HG3' ' O ' ' B' ' 51' ' ' ARG . 37.7 mt-30 -70.63 -50.83 32.78 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 107.881 -1.155 . . . . 3.01 107.881 178.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.547 HD11 ' N ' ' B' ' 56' ' ' LEU . 5.9 mp -52.53 -41.44 63.49 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.247 -0.888 . . . . 1.26 111.394 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.51 -6.73 54.61 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 113.865 1.061 . . . . 1.29 113.865 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 146.67 -49.85 0.62 Allowed Glycine 0 CA--C 1.506 -0.531 0 C-N-CA 119.197 -1.478 . . . . 1.6 113.906 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.59 ' O ' ' HA ' ' B' ' 55' ' ' GLN . 7.0 tttm -78.64 81.65 4.94 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.506 0.67 . . . . 5.31 111.513 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.41 ' HA ' ' HG2' ' B' ' 55' ' ' GLN . 2.6 mt-30 -84.66 148.16 26.57 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 114.833 -1.076 . . . . 7.24 109.993 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -137.69 59.6 1.66 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.959 0.409 . . . . 6.58 110.72 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--O 1.248 0.999 0 CA-C-N 115.473 -0.785 . . . . 8.7 109.377 178.548 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . 0.491 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.233 0 C3'-C2'-C1' 99.121 -2.557 . . . . 2.55 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . 0.491 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.767 0 C3'-C2'-C1' 99.761 -2.099 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.5 ' C8 ' ' H73' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.567 0 O4'-C1'-C2' 103.791 -2.099 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.564 " H3'" ' HG ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C5'-C4'-C3' 117.913 2.142 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.618 ' C2 ' ' C5 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C3'-C2'-C1' 99.279 -2.444 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.618 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 104.024 -1.887 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.425 ' H72' " C2'" ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.823 0 C3'-C2'-C1' 99.562 -2.241 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.097 0 C3'-C2'-C1' 99.224 -2.483 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . 0.4 " H1'" " H5'" ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.504 -1.215 0 C3'-C2'-C1' 99.055 -2.604 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . 0.421 ' C4 ' ' C5 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.746 0 C3'-C2'-C1' 98.642 -2.899 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.466 ' N4 ' ' O6 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 O4'-C1'-C2' 103.744 -2.142 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.466 ' O6 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.5 -1.476 0 C3'-C2'-C1' 99.126 -2.553 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.667 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.495 -1.829 0 C3'-C2'-C1' 99.707 -2.138 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.457 ' C5 ' ' OH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.421 -1.162 0 C5'-C4'-C3' 118.298 2.399 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.44 ' H71' ' CB ' ' B' ' 21' ' ' SER . . . . . . . . 0 P--O3' 1.596 -0.924 0 C3'-C2'-C1' 100.048 -1.894 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.053 0 C3'-C2'-C1' 100.146 -1.824 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.454 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.421 -1.217 0 O4'-C1'-C2' 104.094 -1.824 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.454 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 C3'-C2'-C1' 99.671 -2.164 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.475 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.504 -1.193 0 O4'-C1'-C2' 103.988 -1.92 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.494 ' C8 ' ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.688 0 C3'-C2'-C1' 99.634 -2.19 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.494 ' H72' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.961 0 C3'-C2'-C1' 99.686 -2.153 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.406 H2'' ' H73' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.06 0 C3'-C2'-C1' 99.408 -2.352 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.406 ' H73' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.825 0 C3'-C2'-C1' 99.666 -2.167 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 100.803 -1.355 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O4'-C1'-C2' 107.096 0.905 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.534 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 107.341 1.128 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.534 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C3'-C2'-C1' 104.764 1.474 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.421 " H1'" " H5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.951 0 C3'-C2'-C1' 104.886 1.561 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.475 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 C5'-C4'-C3' 115.819 0.746 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.485 " H1'" " H5'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-C2' 107.278 1.071 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.485 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 P--O3' 1.614 0.552 0 C4'-C3'-C2' 104.592 1.392 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.516 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O4'-C1'-C2' 107.713 1.466 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.516 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C5'-C4'-O4' 108.026 -0.859 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.504 H2'' H5'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.419 -1.34 0 N19-C1'-C2' 115.652 0.907 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.504 H5'' H2'' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 C3'-C2'-C1' 105.726 2.161 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.626 ' P ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.506 -1.044 0 C3'-C2'-C1' 101.795 -0.646 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.506 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 C2'--C1' 1.504 -1.196 0 C5'-C4'-C3' 117.173 1.649 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.468 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 C1'-O4'-C4' 111.219 1.085 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.503 ' H41' ' CD ' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C5'-C4'-C3' 117.308 1.739 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.498 " H5'" " H1'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.745 0 C2'-C3'-O3' 112.241 0.608 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.417 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 C5'-C4'-O4' 107.56 -1.15 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.471 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O4'-C1'-C2' 107.42 1.2 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.471 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 0.961 0 C5'-C4'-C3' 116.571 1.247 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.459 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.596 -0.922 0 C3'-C2'-C1' 104.764 1.474 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.463 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 0.964 0 C4'-C3'-C2' 104.454 1.254 . . . . 1.82 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . 0.463 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.52 -0.756 0 O4'-C1'-C2' 107.167 0.97 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mpt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.539 0.209 . . . . 7.3 110.764 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.48 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 23.7 ttpt -175.6 -58.59 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.848 -0.615 . . . . 6.26 109.772 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.48 ' HD3' ' HB3' ' A' ' 2' ' ' LYS . 31.5 Cg_endo -94.34 148.05 1.91 Allowed 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 121.97 1.78 . . . . 2.2 111.249 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.542 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 19.4 t -51.57 162.38 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.304 -0.998 . . . . 1.47 108.304 176.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.525 ' N ' HG11 ' A' ' 4' ' ' VAL . 5.8 p -126.92 171.32 11.39 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.587 0.708 . . . . 1.36 110.669 -174.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -61.99 -21.64 65.01 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.947 -1.024 . . . . 1.24 109.51 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -77.44 -35.3 54.11 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.231 -0.44 . . . . 0.82 110.965 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' HB2' HG13 ' A' ' 4' ' ' VAL . 4.4 m-20 -65.77 -43.27 89.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.444 -1.317 . . . . 1.86 107.444 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 5' ' ' THR . 21.6 t -61.87 -46.44 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 113.218 -1.81 . . . . 1.31 109.736 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -59.43 -35.64 74.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.082 -0.963 . . . . 1.25 111.016 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -71.71 -46.55 58.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.347 0.594 . . . . 2.41 110.234 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.494 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . 2.3 t80 -64.43 -37.44 87.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 122.141 0.972 . . . . 2.57 110.457 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.496 ' O ' ' HD2' ' A' ' 37' ' ' LYS . . . -87.39 -15.19 38.53 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 114.519 -1.218 . . . . 1.32 110.681 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.85 48.0 57.45 Favored Glycine 0 N--CA 1.437 -1.24 0 N-CA-C 111.117 -0.793 . . . . 0.72 111.117 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.435 HG23 ' HB1' ' A' ' 13' ' ' ALA . 27.2 m -135.57 -170.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.149 0 CA-C-N 114.825 -0.688 . . . . 1.26 109.164 -178.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.421 ' OG ' " H2'" ' C' ' 5' ' ' ' DG' . 66.7 m -95.78 163.91 12.97 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.731 -1.211 . . . . 1.03 107.731 177.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.458 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.2 p90 -67.0 -35.17 79.35 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.26 -0.976 . . . . 2.26 109.792 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -63.27 -32.85 74.36 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.416 -0.586 . . . . 2.69 109.416 177.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.505 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 21.5 m -60.83 -46.59 89.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.259 0.552 . . . . 1.18 110.214 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.3 t -56.81 -47.58 82.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.424 -0.807 . . . . 1.28 110.504 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.54 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 12.1 m -66.3 -21.78 66.27 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.211 -0.45 . . . . 1.22 110.594 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 19' ' ' THR . 32.5 mmt180 -68.11 -37.55 81.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.871 -0.418 . . . . 3.12 109.871 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.6 t -86.99 -43.1 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 112.655 0.613 . . . . 1.33 112.655 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.98 -44.59 99.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.747 -0.66 . . . . 1.37 111.307 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.54 ' HB2' ' O ' ' A' ' 21' ' ' SER . 5.1 m-80 -70.63 -40.28 73.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.329 -0.85 . . . . 1.24 113.138 -177.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.42 -59.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.928 0.714 . . . . 5.01 112.928 -177.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 86.76 131.64 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 124.722 1.209 . . . . 3.09 109.764 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.7 t -168.48 -88.29 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.121 -1.066 . . . . 2.08 108.121 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.485 ' HB3' ' C7 ' ' C' ' 3' ' ' ' DT' . 11.4 m170 -70.16 49.78 0.11 Allowed 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.256 1.022 . . . . 2.33 111.294 176.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.74 126.15 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 107.375 -1.342 . . . . 1.54 107.375 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.63 141.11 57.92 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.424 -0.51 . . . . 1.42 109.936 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -51.53 -36.52 45.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 1.68 111.009 178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -51.52 -42.18 61.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.467 -0.788 . . . . 3.58 110.795 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.93 -45.84 10.44 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.025 -0.989 . . . . 1.56 112.627 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -51.75 -45.38 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.573 0.583 . . . . 4.14 112.573 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 55.6 mt-10 -77.03 -17.69 58.64 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.906 -0.588 . . . . 1.72 111.09 -178.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.496 ' HD2' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -88.57 -28.77 20.5 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.68 -0.691 . . . . 1.95 110.448 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.4 t -78.42 -45.5 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-O 121.32 0.581 . . . . 1.27 109.534 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.406 ' HA ' ' HE2' ' A' ' 42' ' ' MET . 23.2 mt-10 -64.0 -23.39 67.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.272 -0.877 . . . . 1.7 109.785 179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.36 -33.44 42.93 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.354 -0.839 . . . . 1.38 109.889 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.754 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -65.83 -42.71 90.24 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.042 -0.981 . . . . 1.24 110.285 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.406 ' HE2' ' HA ' ' A' ' 39' ' ' GLU . 24.5 mtt -60.47 -23.33 64.38 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.77 0.669 . . . . 1.29 112.565 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.55 -30.48 29.66 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.911 -0.774 . . . . 1.33 108.911 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 28.1 mm-40 -69.08 -62.65 1.29 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.751 -1.113 . . . . 1.55 112.549 -178.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.754 HD23 ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -80.61 -7.82 59.4 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.478 -0.783 . . . . 2.37 111.683 -179.347 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 67.12 68.89 0.39 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.518 0.675 . . . . 2.34 111.26 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.542 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.7 t80 -83.82 128.96 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.22 -0.9 . . . . 2.17 111.83 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.3 mp -111.53 109.41 55.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.959 -0.756 . . . . 1.99 108.959 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.39 117.84 4.71 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.322 2.015 . . . . 0.78 112.965 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -78.37 99.57 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.69 111.913 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -8.18 26.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 4.93 110.132 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.431 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -83.64 -35.04 24.9 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.64 -0.504 . . . . 0.7 109.64 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.523 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -80.28 -30.87 38.36 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.216 0.532 . . . . 1.2 109.81 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.63 -41.07 98.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.685 -1.143 . . . . 1.82 108.387 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -68.62 -26.39 65.33 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.041 -0.981 . . . . 3.08 110.545 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tp -73.89 -48.91 27.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.364 0.602 . . . . 1.24 110.322 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.72 -20.22 66.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.391 -0.822 . . . . 1.23 112.649 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -170.14 68.36 0.15 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.002 -1.094 . . . . 1.86 112.899 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' NZ ' ' HA ' ' A' ' 62' ' ' LEU . 20.6 tttm -59.35 101.35 0.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.206 0.527 . . . . 6.73 111.081 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -89.67 -16.94 29.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.503 -0.771 . . . . 7.37 110.115 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.8 p -157.43 175.26 14.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.391 -0.822 . . . . 7.76 110.027 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' HA ' ' NZ ' ' A' ' 59' ' ' LYS . 33.0 tp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.45 -0.786 . . . . 9.67 111.365 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 109.552 -0.536 . . . . 6.87 109.552 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -126.22 110.44 23.95 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.347 -0.388 . . . . 5.86 110.773 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.06 114.0 3.82 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 121.925 1.75 . . . . 2.12 112.031 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.681 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 6.2 t -109.68 177.37 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 114.642 -1.163 . . . . 1.33 108.477 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.731 HG22 ' OP1' ' C' ' 12' ' ' ' DG' . 10.9 p -137.14 158.75 43.75 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 118.987 -0.53 . . . . 1.29 110.235 -178.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.583 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.9 OUTLIER -53.94 -31.08 49.22 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 124.631 1.207 . . . . 1.29 110.438 177.557 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.572 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 15.2 m-85 -68.33 -40.01 81.73 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 123.495 0.497 . . . . 2.01 111.022 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -62.95 -36.96 85.2 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.807 -0.812 . . . . 1.45 108.807 178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.29 -44.4 97.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.243 -0.89 . . . . 1.22 109.514 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.9 -58.61 7.17 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.721 -0.672 . . . . 1.12 111.337 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.97 -41.06 82.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.777 0.658 . . . . 2.46 112.777 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -67.67 -49.39 63.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.956 0.408 . . . . 2.19 111.434 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -24.86 66.78 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 112.382 0.512 . . . . 1.26 112.382 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.0 46.42 5.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 119.981 -1.104 . . . . 1.09 111.572 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.41 ' HB ' HG23 ' B' ' 19' ' ' THR . 29.3 m -142.54 169.76 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 109.042 -0.725 . . . . 1.25 109.042 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -72.51 158.07 36.41 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 108.129 -1.063 . . . . 1.31 108.129 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.442 ' CZ ' ' H71' ' C' ' 14' ' ' ' DT' . 0.0 OUTLIER -61.88 -45.72 92.52 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 110.298 -0.26 . . . . 2.42 110.298 -178.758 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -56.08 -34.18 65.74 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.157 0.503 . . . . 1.44 110.87 176.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.41 HG23 ' HB ' ' B' ' 15' ' ' VAL . 20.6 m -55.43 -37.56 67.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.126 -0.943 . . . . 1.22 109.916 178.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.449 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 16.8 t -68.6 -50.09 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.114 -0.948 . . . . 1.78 110.437 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 40.4 m -56.79 -45.19 82.33 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.165 -1.05 . . . . 1.13 108.165 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -48.92 -40.27 29.43 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 113.851 -1.522 . . . . 3.37 112.026 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.16 -43.8 43.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.425 0.631 . . . . 1.37 110.16 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 50.7 t -57.29 -50.99 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.03 -0.986 . . . . 1.33 112.137 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -66.28 -79.47 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 122.126 0.965 . . . . 1.3 111.223 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -168.81 85.96 0.17 Allowed 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 113.933 -1.485 . . . . 4.39 109.448 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.81 141.69 26.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 2.82 110.843 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 29.1 t -137.33 -71.46 0.44 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.564 -0.902 . . . . 1.96 108.564 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -81.43 47.32 1.03 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.295 -0.866 . . . . 1.64 109.315 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -130.54 148.43 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 1.61 111.053 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.36 143.03 30.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.918 -0.583 . . . . 1.09 109.515 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.18 -45.02 68.35 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.316 0.385 . . . . 1.64 111.426 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' B' ' 34' ' ' THR . 7.3 ttpp -51.76 -56.85 11.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.964 -0.562 . . . . 3.67 110.816 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.477 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.4 OUTLIER -62.01 -35.72 79.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.898 -0.592 . . . . 1.21 112.002 -179.769 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -64.32 -48.34 75.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.8 -0.636 . . . . 4.13 111.161 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -72.04 -28.06 63.12 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.88 -0.6 . . . . 1.96 110.959 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -66.31 -41.24 89.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 2.4 110.561 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.477 HG21 ' O ' ' B' ' 34' ' ' THR . 99.7 t -65.63 -42.57 93.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.142 -0.481 . . . . 1.22 110.504 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' B' ' 42' ' ' MET . 8.8 mt-10 -69.72 -32.18 70.6 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.534 -0.467 . . . . 1.68 110.946 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.8 -39.58 87.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.342 0.591 . . . . 1.3 109.604 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.13 -30.95 69.63 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.651 -0.704 . . . . 1.29 110.179 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.432 ' HB2' ' O ' ' B' ' 39' ' ' GLU . 45.2 mtt -63.14 -21.69 66.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.054 -0.975 . . . . 1.2 110.022 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.59 -47.63 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.744 -0.662 . . . . 1.34 110.639 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -50.66 -60.4 3.07 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.855 0.836 . . . . 1.58 112.252 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.461 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -80.4 -1.17 40.21 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 113.981 -1.463 . . . . 1.76 112.34 -177.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.09 47.43 11.92 Favored 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 109.599 -0.519 . . . . 1.3 109.599 -176.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.681 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.7 t80 -59.71 121.82 12.6 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 116.015 -0.539 . . . . 2.36 110.351 -178.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.5 mm -128.66 103.51 19.44 Favored Pre-proline 0 N--CA 1.438 -1.03 0 N-CA-C 103.695 -2.706 . . . . 1.83 103.695 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.427 ' HB3' ' CD ' ' B' ' 54' ' ' GLN . 0.5 OUTLIER -30.73 122.48 0.07 OUTLIER 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 124.871 3.714 . . . . 0.79 114.391 -177.453 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.442 HD21 " C5'" ' C' ' 12' ' ' ' DG' . 34.5 t-20 -56.49 91.66 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.364 -0.835 . . . . 0.85 110.962 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -49.43 -34.65 17.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.393 -0.821 . . . . 5.23 112.791 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 56.6 m -66.95 -62.93 1.19 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.187 0.518 . . . . 0.75 111.645 -178.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.39 67.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.592 -0.731 . . . . 1.34 112.475 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.427 ' CD ' ' HB3' ' B' ' 49' ' ' PRO . 5.7 mt-30 -64.48 -34.24 77.76 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.653 -0.419 . . . . 1.04 110.824 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -46.71 78.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.094 -1.076 . . . . 3.01 108.094 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 53' ' ' ALA . 4.8 mp -57.43 -50.81 71.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.191 -1.368 . . . . 1.26 111.102 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -5.39 35.91 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.369 -0.378 . . . . 1.29 111.605 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.46 18.05 75.05 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 121.151 -0.547 . . . . 1.6 112.72 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mttm 54.39 -111.91 0.66 Allowed 'General case' 0 C--N 1.333 -0.137 0 O-C-N 123.881 0.4 . . . . 5.31 110.52 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -101.57 109.65 21.49 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.434 -0.506 . . . . 7.24 110.467 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -66.29 -33.77 76.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.848 -0.615 . . . . 6.58 110.828 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 8.0 tp . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.439 -0.791 . . . . 8.7 110.158 178.777 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . 0.44 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.5 -1.487 0 C3'-C2'-C1' 99.513 -2.277 . . . . 2.55 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . 0.44 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.102 0 C3'-C2'-C1' 99.223 -2.484 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.531 ' C8 ' ' H73' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 C3'-C2'-C1' 98.627 -2.91 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.531 ' H73' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.869 0 C3'-C2'-C1' 99.929 -1.979 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.459 ' C2 ' ' C5 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 C3'-C2'-C1' 99.467 -2.31 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.459 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.074 0 C3'-C2'-C1' 100.008 -1.923 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.445 ' H72' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-C2' 103.606 -2.267 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C3'-C2'-C1' 99.574 -2.233 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 C3'-C2'-C1' 99.579 -2.229 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C3'-C2'-C1' 99.228 -2.48 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.008 0 C5'-C4'-C3' 117.501 1.867 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.497 -1.729 0 C3'-C2'-C1' 98.501 -2.999 . . . . 0.89 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.731 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.582 -2.045 0 C3'-C2'-C1' 99.76 -2.1 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.583 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 C5'-C4'-C3' 118.172 2.315 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.442 ' H71' ' CZ ' ' B' ' 17' ' ' TYR . . . . . . . . 0 C2'--C1' 1.512 -0.66 0 O4'-C1'-C2' 104.098 -1.82 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.502 -1.358 0 C3'-C2'-C1' 100.14 -1.829 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.416 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.505 -1.169 0 C3'-C2'-C1' 100.156 -1.817 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.416 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.502 -1.378 0 C3'-C2'-C1' 99.918 -1.987 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.533 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.003 0 C3'-C2'-C1' 99.954 -1.961 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.411 ' C8 ' ' C7 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.725 0 C3'-C2'-C1' 99.732 -2.12 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.411 ' C7 ' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 O4'-C1'-C2' 103.829 -2.065 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.142 0 C3'-C2'-C1' 99.226 -2.481 . . . . 1.95 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.853 0 C3'-C2'-C1' 99.552 -2.249 . . . . 2.28 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . 0.429 " H1'" " H5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.98 0 C4'-C3'-C2' 102.59 -0.61 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.429 " H5'" " H1'" ' D' ' -1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.64 0 C4'-C3'-C2' 102.715 -0.485 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.583 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-C2' 107.513 1.285 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.583 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.738 0 O4'-C1'-C2' 107.19 0.991 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.465 H2'' " C5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-C1' 105.285 1.847 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.533 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 P--O3' 1.62 1.118 0 C5'-C4'-C3' 116.834 1.423 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.498 " H1'" " H5'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-C2' 107.334 1.122 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.498 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C3'-C2'-C1' 104.56 1.328 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.548 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C3'-C2'-C1' 104.416 1.226 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.548 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-N19 108.323 0.654 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.401 ' OP2' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 N19-C1'-C2' 115.667 0.917 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 102.318 -0.882 . . . . 1.55 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.507 " H3'" ' HB ' ' A' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 C4'-C3'-C2' 101.794 -1.406 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.523 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.422 -1.107 0 C3'-C2'-C1' 104.754 1.467 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.45 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C1'-O4'-C4' 110.924 0.874 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.45 ' C6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 P--O3' 1.62 1.118 0 O4'-C1'-C2' 107.449 1.226 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.536 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C5'-C4'-C3' 116.303 1.069 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.536 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 P--O3' 1.62 1.057 0 OP2-P-O3' 111.134 0.886 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.49 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-C2' 107.011 0.828 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.49 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C5'-C4'-O4' 108.184 -0.76 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.448 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 104.061 0.861 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.504 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C1'-O4'-C4' 111.039 0.956 . . . . 1.82 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . 0.504 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 C4'-C3'-C2' 102.457 -0.743 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' A' ' 1' ' ' MET . 29.4 ttp . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 121.06 0.457 . . . . 7.3 110.45 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -139.19 118.69 9.26 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.249 -0.432 . . . . 6.26 110.46 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -76.05 111.69 3.33 Favored 'Trans proline' 0 N--CA 1.448 -1.148 0 C-N-CA 121.825 1.683 . . . . 2.2 108.845 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.626 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 69.0 t -116.75 176.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 115.501 -0.772 . . . . 1.47 109.827 -176.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.512 HG21 ' OP1' ' D' ' 12' ' ' ' DG' . 26.8 p -133.25 164.53 26.87 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.078 -0.712 . . . . 1.36 109.078 -178.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.19 -16.62 62.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.091 0.472 . . . . 1.24 110.798 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -78.42 -39.58 38.4 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.639 -0.709 . . . . 0.82 110.331 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.22 -35.2 79.8 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.843 0.83 . . . . 1.86 109.511 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.554 ' O ' ' HB3' ' A' ' 13' ' ' ALA . 24.0 t -67.02 -42.84 89.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 113.417 -1.72 . . . . 1.31 108.816 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 17' ' ' TYR . . . -62.49 -41.41 98.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.326 -0.852 . . . . 1.25 110.933 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.87 -51.86 59.73 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.786 -0.643 . . . . 2.41 111.315 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.446 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 61.4 t80 -69.28 -24.1 63.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.46 -0.336 . . . . 2.57 111.286 -178.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 9' ' ' VAL . . . -86.57 -25.69 24.87 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-O 121.304 0.573 . . . . 1.32 109.807 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.48 40.3 13.26 Favored Glycine 0 CA--C 1.503 -0.708 0 N-CA-C 110.042 -1.223 . . . . 0.72 110.042 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 35.4 m -133.22 -176.95 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 114.79 -0.705 . . . . 1.26 109.905 -177.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -91.05 154.43 19.41 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.435 -0.95 . . . . 1.03 108.435 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.42 ' HA ' ' HB1' ' A' ' 10' ' ' ALA . 17.7 p90 -55.66 -41.79 74.15 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.676 -0.81 . . . . 2.26 110.833 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.53 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -62.96 -24.62 67.97 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.322 -0.399 . . . . 2.69 110.981 177.218 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 23' ' ' VAL . 28.5 m -67.84 -40.66 83.7 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.455 -0.942 . . . . 1.18 108.455 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.682 ' O ' HG21 ' A' ' 24' ' ' VAL . 78.3 t -64.66 -54.05 34.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.546 -1.206 . . . . 1.28 110.99 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.6 t -60.34 -27.89 67.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.354 -0.839 . . . . 1.22 110.844 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 4.4 ttp180 -73.15 -27.53 61.71 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.242 -0.651 . . . . 3.12 109.242 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 19' ' ' THR . 53.1 t -82.39 -40.67 17.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.435 -0.802 . . . . 1.33 110.204 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.682 HG21 ' O ' ' A' ' 20' ' ' VAL . 12.3 t -66.65 -55.74 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.634 -0.712 . . . . 1.37 112.359 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.495 HD22 ' P ' ' D' ' 14' ' ' ' DT' . 27.4 m-20 -77.81 -26.08 49.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 113.874 1.064 . . . . 1.24 113.874 -176.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.647 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 33.3 mt-30 -137.34 -113.39 0.17 Allowed 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 119.806 -0.757 . . . . 5.01 111.233 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.647 ' HB3' ' O ' ' A' ' 26' ' ' GLN . . . 156.73 -32.67 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 107.581 -1.266 . . . . 3.09 107.581 -177.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 p -69.33 152.8 44.55 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.353 -1.294 . . . . 2.08 108.085 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.563 ' HB3' ' C7 ' ' C' ' 4' ' ' ' DT' . 2.1 m-70 69.42 23.83 5.97 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.494 -0.928 . . . . 2.33 108.494 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.9 t -144.18 136.78 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 114.601 -1.182 . . . . 1.54 109.037 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.511 ' HG ' " H3'" ' C' ' 3' ' ' ' DT' . 58.3 m -73.95 145.32 44.78 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.422 -1.263 . . . . 1.42 109.55 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.57 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.97 -39.25 71.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.435 -0.348 . . . . 1.68 110.503 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.57 -41.53 81.26 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.286 0.565 . . . . 3.58 110.772 179.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.535 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -75.45 -41.24 56.21 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.679 0.622 . . . . 1.56 112.679 -179.356 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' NH1' ' HG2' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -56.35 -48.64 76.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.117 0.414 . . . . 4.14 112.117 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 2.5 mt-10 -70.51 -30.61 67.42 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.807 -0.633 . . . . 1.72 111.965 -177.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.433 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 11.5 ptpt -79.4 -25.62 42.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.293 0.568 . . . . 1.95 110.369 -177.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 34' ' ' THR . 69.1 t -83.41 -40.69 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.465 -0.789 . . . . 1.27 109.358 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -65.38 -27.13 68.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.433 -0.803 . . . . 1.7 109.699 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.582 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.72 -38.47 62.29 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.718 -0.674 . . . . 1.38 110.385 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.12 91.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.937 -0.574 . . . . 1.24 110.817 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 30.7 mtt -61.26 -30.53 70.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.887 -0.597 . . . . 1.29 111.515 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.18 -35.91 30.82 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.668 0.746 . . . . 1.33 109.71 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 25.9 mm-40 -61.61 -59.34 5.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.52 -1.218 . . . . 1.55 111.523 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -82.1 -12.59 58.14 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.778 -1.556 . . . . 2.37 113.077 -178.421 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 68.47 63.54 0.34 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.485 0.659 . . . . 2.34 110.487 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.626 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.4 t80 -83.69 124.42 30.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.804 -0.635 . . . . 2.17 110.667 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.57 112.51 51.25 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.728 -0.471 . . . . 1.99 109.728 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -53.5 114.88 1.96 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.709 2.273 . . . . 0.78 111.951 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.578 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 35.3 m-20 -73.06 100.74 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.466 -0.788 . . . . 0.69 111.262 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.626 ' HD3' ' OE1' ' A' ' 54' ' ' GLN . 32.2 mmt180 -58.98 -31.67 68.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.908 -1.042 . . . . 4.93 112.139 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -40.82 66.44 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 109.736 -0.468 . . . . 0.7 109.736 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.549 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -63.87 -47.0 82.43 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.84 -0.8 . . . . 1.2 108.84 178.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.626 ' OE1' ' HD3' ' A' ' 51' ' ' ARG . 53.9 mt-30 -56.22 -47.86 77.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.27 -0.877 . . . . 1.82 109.938 177.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -61.05 -32.86 72.48 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.154 -0.475 . . . . 3.08 110.929 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.25 -52.97 13.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.094 -0.503 . . . . 1.24 111.771 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.23 -17.54 60.31 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.617 0.599 . . . . 1.23 112.617 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.453 ' C ' ' HE3' ' A' ' 59' ' ' LYS . . . 170.08 -117.29 0.69 Allowed Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.239 -0.981 . . . . 1.86 113.079 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.453 ' HE3' ' C ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -122.86 153.64 39.36 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.496 -0.414 . . . . 6.73 110.33 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.47 -34.44 78.28 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.245 0.461 . . . . 7.37 112.245 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 m 60.59 -83.77 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.416 0.686 . . . . 7.76 111.66 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.371 -0.823 . . . . 9.67 110.726 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.0 tpp . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.967 0.413 . . . . 6.87 111.07 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -97.64 113.33 63.36 Favored Pre-proline 0 N--CA 1.447 -0.611 0 CA-C-N 116.313 -0.403 . . . . 5.86 110.191 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -78.33 113.09 3.31 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 121.875 1.717 . . . . 2.12 110.372 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.642 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 86.6 t -114.93 163.62 12.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 CA-C-N 115.558 -0.746 . . . . 1.33 109.752 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.513 ' N ' HG12 ' B' ' 4' ' ' VAL . 17.2 p -128.47 154.96 45.54 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.211 -0.662 . . . . 1.29 109.211 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.08 -24.88 19.07 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 121.785 -0.572 . . . . 1.29 111.842 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.47 ' CE1' ' CE1' ' B' ' 17' ' ' TYR . 41.0 m-85 -64.06 -35.63 81.38 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.05 -0.977 . . . . 2.01 110.387 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.55 -36.73 76.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.274 -0.876 . . . . 1.45 109.781 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.402 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 47.3 t -68.22 -48.38 73.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.395 -0.821 . . . . 1.22 110.622 -178.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -52.65 62.86 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.548 0.69 . . . . 1.12 110.643 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.48 -55.21 34.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.624 -1.171 . . . . 2.46 111.343 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -55.05 -51.54 66.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.228 -0.896 . . . . 2.19 113.05 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.499 ' CB ' ' HG3' ' B' ' 37' ' ' LYS . . . -66.82 -21.1 66.04 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.518 0.562 . . . . 1.26 112.518 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.14 43.78 7.36 Favored Glycine 0 N--CA 1.437 -1.293 0 C-N-CA 120.581 -0.819 . . . . 1.09 111.615 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.444 ' HB ' HG23 ' B' ' 19' ' ' THR . 17.2 m -137.32 166.25 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.229 0 N-CA-C 108.191 -1.04 . . . . 1.25 108.191 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 63.9 m -78.98 166.37 22.43 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 119.674 -0.81 . . . . 1.31 110.647 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.505 ' HH ' H2'' ' C' ' 12' ' ' ' DG' . 19.8 t80 -52.65 -54.6 31.11 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.161 0.984 . . . . 2.42 111.186 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -57.41 -31.17 65.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.986 -1.006 . . . . 1.44 112.116 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.444 HG23 ' HB ' ' B' ' 15' ' ' VAL . 2.6 m -59.22 -46.36 88.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.189 0.995 . . . . 1.22 109.778 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t -72.9 -48.84 43.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 113.847 -1.524 . . . . 1.78 110.606 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' SER . . . . . 0.425 ' CB ' ' H73' ' C' ' 14' ' ' ' DT' . 15.9 m -61.29 -18.67 59.66 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 113.345 0.869 . . . . 1.13 113.345 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -92.1 -20.36 21.35 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 121.049 1.75 . . . . 3.37 107.749 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 53.0 t -75.72 -38.65 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 N-CA-C 108.333 -0.988 . . . . 1.37 108.333 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.09 -27.93 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 CA-C-N 114.899 -1.046 . . . . 1.33 108.457 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.473 ' HA ' HE22 ' B' ' 60' ' ' GLN . 9.0 m-80 -83.65 -16.2 45.99 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.991 -0.549 . . . . 1.3 110.237 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 67.81 32.81 5.11 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.483 -0.78 . . . . 4.39 109.973 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.94 173.42 12.18 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.753 -0.658 . . . . 2.82 111.438 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.9 p -95.72 -179.09 4.61 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.899 -0.591 . . . . 1.96 110.429 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.443 ' HA ' ' OP2' ' D' ' 3' ' ' ' DT' . 18.5 m170 69.33 43.29 1.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.224 0.609 . . . . 1.64 111.074 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.5 132.96 45.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.612 -0.722 . . . . 1.61 109.092 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.631 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 70.1 m -70.13 152.49 44.26 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.928 -0.578 . . . . 1.09 110.56 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.1 73.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 1.64 111.234 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -53.75 -54.16 42.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.17 0.509 . . . . 3.67 110.99 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.631 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.3 OUTLIER -54.0 -38.85 65.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.405 -0.816 . . . . 1.21 112.539 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -65.54 -48.76 71.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.118 0.485 . . . . 4.13 110.468 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.13 -32.25 72.4 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.908 -1.042 . . . . 1.96 111.657 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.499 ' HG3' ' CB ' ' B' ' 13' ' ' ALA . 12.5 tppt? -62.12 -40.28 95.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.749 -0.66 . . . . 2.4 110.241 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.501 HG22 ' O ' ' B' ' 34' ' ' THR . 59.7 t -73.03 -38.36 55.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.376 -0.829 . . . . 1.22 111.233 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -64.95 -33.91 77.16 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.425 0.631 . . . . 1.68 109.746 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.77 47.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.226 -0.897 . . . . 1.3 110.631 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.0 -29.32 57.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.041 -0.981 . . . . 1.29 113.248 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.496 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 58.4 mtt -65.0 -21.85 66.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.662 -0.699 . . . . 1.2 109.879 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.63 -49.71 7.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.351 -0.841 . . . . 1.34 110.712 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -53.26 60.33 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.644 0.735 . . . . 1.58 112.06 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.572 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -67.67 -19.43 65.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.315 -0.857 . . . . 1.76 111.386 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.532 ' O ' HG12 ' B' ' 48' ' ' ILE . 1.0 OUTLIER 65.84 43.54 3.08 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.047 -1.464 . . . . 1.3 107.047 -176.006 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.642 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.0 t80 -51.49 121.07 5.79 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 114.376 -1.284 . . . . 2.36 110.353 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.532 HG12 ' O ' ' B' ' 46' ' ' ASN . 34.1 mm -134.41 93.92 18.26 Favored Pre-proline 0 N--CA 1.435 -1.177 0 N-CA-C 103.864 -2.643 . . . . 1.83 103.864 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.4 ' HB3' ' CD ' ' B' ' 54' ' ' GLN . 1.0 OUTLIER -29.56 124.78 0.06 OUTLIER 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 124.842 3.695 . . . . 0.79 115.511 -176.512 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.484 HD21 " H5'" ' C' ' 12' ' ' ' DG' . 47.4 t-20 -59.41 85.01 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.565 -0.743 . . . . 0.85 109.683 178.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -53.42 -21.74 6.52 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.481 0.919 . . . . 5.23 113.481 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.72 -62.1 1.57 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.339 0.59 . . . . 0.75 109.979 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.15 84.69 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.588 -0.733 . . . . 1.34 110.439 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.4 ' CD ' ' HB3' ' B' ' 49' ' ' PRO . 6.8 mt-30 -63.46 -29.24 70.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.251 -0.886 . . . . 1.04 112.093 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -82.45 -21.26 35.7 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.921 -0.77 . . . . 3.01 108.921 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.474 HD23 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.7 tp -81.99 -40.48 22.09 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.263 -0.881 . . . . 1.26 109.785 178.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.55 -4.31 58.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.588 -0.278 . . . . 1.29 111.05 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.09 -11.47 35.88 Favored Glycine 0 C--N 1.335 0.505 0 CA-C-O 119.439 -0.645 . . . . 1.6 114.023 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 53.1 tttt 64.67 -83.5 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 117.387 0.594 . . . . 5.31 110.897 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.473 HE22 ' HA ' ' B' ' 25' ' ' ASN . 36.1 mt-30 -146.93 -65.48 0.28 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.252 0.549 . . . . 7.24 110.399 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 67.5 m -146.62 -42.27 0.19 Allowed 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.879 -0.6 . . . . 6.58 110.442 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.5 tp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.682 -0.675 . . . . 8.7 109.787 179.157 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.496 -1.765 0 C3'-C2'-C1' 99.305 -2.425 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.278 0 C3'-C2'-C1' 98.99 -2.65 . . . . 2.25 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.512 ' C8 ' ' H71' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.557 0 O4'-C1'-C2' 103.752 -2.135 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.512 ' H71' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 103.597 -2.275 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.563 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C3'-C2'-C1' 99.79 -2.079 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.478 ' C2 ' ' C2 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.923 0 O4'-C1'-C2' 103.85 -2.045 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.447 ' H73' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.858 0 C3'-C2'-C1' 99.492 -2.292 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . 0.446 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.846 0 C3'-C2'-C1' 99.377 -2.374 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . 0.446 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.455 0.785 0 C3'-C2'-C1' 99.499 -2.287 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.412 -0.626 0 C3'-C2'-C1' 98.506 -2.995 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.575 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.452 0.574 0 O4'-C1'-C2' 103.683 -2.197 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.575 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.502 -1.339 0 C3'-C2'-C1' 99.561 -2.242 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.505 H2'' ' HH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 C2'--C1' 1.497 -1.686 0 O4'-C1'-C2' 104.035 -1.878 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.438 H2'' ' OP2' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 P--O3' 1.591 -1.329 0 C5'-C4'-C3' 118.107 2.272 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.438 ' OP2' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 P--O3' 1.598 -0.713 0 C5'-C4'-C3' 117.59 1.926 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.921 0 O4'-C1'-C2' 103.971 -1.935 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.422 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.711 0 C3'-C2'-C1' 99.717 -2.13 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.422 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.207 0 C3'-C2'-C1' 99.706 -2.138 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.523 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.504 -1.189 0 C3'-C2'-C1' 99.553 -2.248 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.42 ' C8 ' ' H71' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.83 0 O4'-C1'-C2' 103.839 -2.055 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.425 ' C6 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.513 -0.556 0 C3'-C2'-C1' 99.649 -2.179 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.425 ' H72' ' C6 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.179 0 C3'-C2'-C1' 99.252 -2.463 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 99.465 -2.311 . . . . 2.28 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.253 0 C3'-C2'-C1' 100.491 -1.578 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.621 1.181 0 C5'-C4'-C3' 116.239 1.026 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.492 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 107.402 1.183 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.492 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-C2' 106.909 0.736 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.403 " O4'" " H1'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.409 -0.864 0 C1'-O4'-C4' 107.563 -1.526 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.523 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C5'-C4'-C3' 116.652 1.301 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.47 H2'' " H5'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 107.344 1.131 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.47 " H5'" H2'' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.427 1.206 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.479 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C3'-C2'-C1' 104.182 1.058 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.479 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C5'-C4'-O4' 107.733 -1.042 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.453 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.62 1.081 0 C3'-C2'-C1' 100.896 -1.288 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.462 " H1'" ' O ' ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 104.623 1.373 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.512 ' OP1' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C3'-C2'-C1' 101.721 -0.699 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.549 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.083 0 C4'-C3'-C2' 104.749 1.549 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.495 ' P ' HD22 ' A' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C5'-C4'-O4' 107.322 -1.299 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.523 ' H41' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 P--O3' 1.619 0.99 0 O4'-C1'-C2' 107.792 1.538 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.471 " H5'" " H1'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.188 0 O4'-C1'-C2' 104.764 -1.214 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.519 0 C5'-C4'-C3' 116.182 0.988 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.497 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-C2' 107.21 1.009 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.497 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.897 0 C3'-C2'-C1' 101.475 -0.875 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.493 ' H73' ' C8 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 C5'-C4'-O4' 107.603 -1.123 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.507 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.421 -1.195 0 C4'-C3'-C2' 101.635 -1.565 . . . . 1.82 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . 0.507 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C5'-C4'-C3' 116.524 1.216 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ttt . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 120.835 0.35 . . . . 7.3 110.314 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.506 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 8.0 tmtm? -125.11 -52.16 0.03 OUTLIER Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.445 -0.343 . . . . 6.26 110.153 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 2' ' ' LYS . 69.3 Cg_endo -91.54 163.97 3.52 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 121.618 1.545 . . . . 2.2 112.74 178.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.576 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 48.4 t -116.36 175.75 2.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 107.211 -1.403 . . . . 1.47 107.211 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.441 HG23 ' OP1' ' D' ' 12' ' ' ' DG' . 19.2 p -133.35 163.07 30.16 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.356 -0.609 . . . . 1.36 109.356 -178.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.454 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -67.76 -17.08 64.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.388 -0.597 . . . . 1.24 109.388 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -76.49 -38.65 54.95 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.799 -0.637 . . . . 0.82 109.746 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.91 -40.95 95.06 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 122.489 1.138 . . . . 1.86 108.099 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.2 t -66.88 -45.96 86.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 113.259 -1.791 . . . . 1.31 110.525 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.43 -32.9 71.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.227 -0.897 . . . . 1.25 110.106 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -75.89 -46.82 28.08 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.643 -0.708 . . . . 2.41 109.783 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.465 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 2.2 t80 -62.09 -33.32 74.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.463 -0.79 . . . . 2.57 110.997 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' HB2' HG23 ' A' ' 15' ' ' VAL . . . -89.16 -19.98 24.81 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.811 -1.086 . . . . 1.32 111.179 -177.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.32 45.89 22.76 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.448 -1.061 . . . . 0.72 110.448 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG23 ' HB2' ' A' ' 13' ' ' ALA . 34.8 m -137.64 -167.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 123.354 0.661 . . . . 1.26 109.813 -178.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -102.11 156.93 17.24 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.308 -0.627 . . . . 1.03 109.308 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.454 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.4 p90 -56.17 -43.55 78.46 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.122 -0.631 . . . . 2.26 110.882 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 11.7 tp60 -60.67 -26.87 67.41 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 110.344 -0.243 . . . . 2.69 110.344 176.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.2 m -65.6 -48.22 73.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.588 -0.893 . . . . 1.18 108.588 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.588 ' O ' HG22 ' A' ' 24' ' ' VAL . 69.7 t -59.83 -54.57 32.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.495 -1.23 . . . . 1.28 110.929 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.8 t -61.28 -23.32 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.767 0.318 . . . . 1.22 110.65 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 45.0 ttm-85 -79.78 -24.23 41.64 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.481 -0.563 . . . . 3.12 109.481 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.1 t -85.99 -37.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.177 0.513 . . . . 1.33 110.362 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.588 HG22 ' O ' ' A' ' 20' ' ' VAL . 36.9 t -71.08 -49.12 51.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.408 -0.815 . . . . 1.37 112.62 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -103.85 -42.09 5.7 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 116.014 1.857 . . . . 1.24 116.014 -175.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -130.83 64.76 1.56 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.766 -0.774 . . . . 5.01 112.741 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 116.93 7.44 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.721 0.772 . . . . 3.09 111.045 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 t -164.51 -95.13 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.064 -1.425 . . . . 2.08 109.719 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.467 ' HA ' ' OP2' ' C' ' 3' ' ' ' DT' . 3.6 m-70 -65.21 53.89 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.982 0.913 . . . . 2.33 112.047 177.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.9 t -137.96 120.3 18.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.812 -0.81 . . . . 1.54 108.812 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.456 ' HG ' " H3'" ' C' ' 3' ' ' ' DT' . 56.0 m -54.5 135.23 46.06 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.417 -0.81 . . . . 1.42 110.902 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -53.77 -37.79 63.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.973 0.416 . . . . 1.68 111.269 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -57.66 -41.33 81.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.743 -0.662 . . . . 3.58 111.789 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.483 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -84.79 -40.43 17.22 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.392 -0.367 . . . . 1.56 110.808 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -52.57 -52.72 53.68 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 122.807 0.443 . . . . 4.14 111.898 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 21.5 mt-10 -72.6 -16.47 61.73 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.424 -0.807 . . . . 1.72 111.054 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -86.3 -29.4 23.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.258 0.551 . . . . 1.95 110.208 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.55 HG13 ' HA ' ' A' ' 20' ' ' VAL . 79.8 t -80.28 -39.54 19.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 109.358 -0.608 . . . . 1.27 109.358 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.6 -31.51 72.7 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.552 -0.749 . . . . 1.7 109.439 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -73.81 -34.74 64.73 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.167 -0.924 . . . . 1.38 109.69 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.707 ' O ' HD23 ' A' ' 45' ' ' LEU . . . -61.75 -44.79 96.22 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.076 -0.511 . . . . 1.24 110.535 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 34.5 mtt -55.9 -32.63 63.92 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.683 -0.69 . . . . 1.29 112.209 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.97 -28.2 49.36 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.472 0.653 . . . . 1.33 110.56 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 24.4 mm-40 -68.79 -59.45 3.08 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.629 -1.169 . . . . 1.55 112.368 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -90.27 -0.73 57.76 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.898 -1.046 . . . . 2.37 112.018 -178.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.463 ' O ' HD11 ' A' ' 48' ' ' ILE . 8.2 m120 63.12 66.58 0.72 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.238 0.542 . . . . 2.34 111.36 178.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.576 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.0 t80 -82.44 120.56 25.61 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.051 -0.522 . . . . 2.17 111.608 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.463 HD11 ' O ' ' A' ' 46' ' ' ASN . 3.9 mp -114.46 112.84 45.84 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 107.238 -1.393 . . . . 1.99 107.238 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.26 122.19 11.27 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.342 2.028 . . . . 0.78 112.577 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -67.91 101.12 1.05 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.846 -0.615 . . . . 0.69 111.509 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.496 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 27.0 mmt180 -63.69 -23.47 67.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.803 -0.635 . . . . 4.93 111.321 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -38.63 65.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.017 0.437 . . . . 0.7 110.153 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.524 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -73.84 -32.2 63.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.53 -0.915 . . . . 1.2 108.53 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -64.37 -35.97 82.61 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.635 -1.166 . . . . 1.82 109.599 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 28.4 mt-30 -73.51 -22.17 60.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.529 . . . . 3.08 109.767 178.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.479 HD22 HD23 ' B' ' 56' ' ' LEU . 6.9 tp -80.7 -52.9 7.02 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.699 -0.682 . . . . 1.24 110.345 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.67 -14.58 62.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.448 -0.796 . . . . 1.23 109.657 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.38 -151.63 24.82 Favored Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 109.985 -1.246 . . . . 1.86 109.985 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp 50.07 35.9 10.94 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 117.913 0.857 . . . . 6.73 110.683 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -77.3 83.87 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.838 -0.619 . . . . 7.37 110.906 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 p -103.39 46.72 0.91 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.361 0.6 . . . . 7.76 110.008 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.319 -0.743 0 CA-C-O 118.62 -0.705 . . . . 9.67 110.006 -179.658 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 43.9 tpp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.918 0.39 . . . . 6.87 110.861 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -106.03 127.44 28.35 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.155 -0.93 . . . . 5.86 109.641 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -66.86 121.49 8.71 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.116 1.877 . . . . 2.12 111.128 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.687 HG21 ' O ' ' B' ' 45' ' ' LEU . 39.3 t -88.67 160.16 2.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.814 -0.63 . . . . 1.33 109.773 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.67 HG22 ' OP1' ' C' ' 12' ' ' ' DG' . 69.9 p -136.74 161.88 34.73 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 119.362 -0.351 . . . . 1.29 110.642 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.5 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 1.7 tt -49.51 -30.97 9.23 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 123.867 0.729 . . . . 1.29 111.463 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.524 ' CE2' " H2'" ' C' ' 12' ' ' ' DG' . 31.1 m-85 -69.2 -35.84 76.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.87 0.367 . . . . 2.01 110.482 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.75 -39.1 87.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.086 -0.709 . . . . 1.45 109.086 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.66 -43.89 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 115.364 -0.834 . . . . 1.22 110.463 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.8 -51.13 70.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 1.12 111.194 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -59.85 -43.88 94.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.168 -0.924 . . . . 2.46 112.813 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.95 -54.02 31.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.1 0.476 . . . . 2.19 112.227 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.416 ' CB ' ' HG3' ' B' ' 37' ' ' LYS . . . -64.01 -25.19 68.01 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.659 -0.7 . . . . 1.26 112.844 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.6 49.62 6.52 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.005 -1.093 . . . . 1.09 111.363 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.32 174.74 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 N-CA-C 108.45 -0.945 . . . . 1.25 108.45 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.0 p -74.72 153.92 38.63 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 107.459 -1.311 . . . . 1.31 107.459 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -16.08 63.79 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 121.147 -0.221 . . . . 2.42 110.964 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.0 -33.03 22.64 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.28 -1.008 . . . . 1.44 108.28 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 39.0 m -53.78 -34.7 59.89 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.73 -1.123 . . . . 1.22 110.783 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.444 HG13 ' HG ' ' B' ' 6' ' ' LEU . 2.8 t -66.28 -51.4 59.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.048 -0.978 . . . . 1.78 108.853 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.3 m -57.06 -46.53 82.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.979 -0.749 . . . . 1.13 108.979 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -49.99 -40.96 45.91 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.194 -0.912 . . . . 3.37 112.541 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.9 t -78.79 -31.51 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 120.993 0.425 . . . . 1.37 110.751 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.2 t -74.71 -28.95 22.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.274 0.559 . . . . 1.33 111.108 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -81.73 -85.02 0.11 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.78 0.8 . . . . 1.3 110.626 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -153.38 90.79 1.44 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.364 -1.289 . . . . 4.39 110.369 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.59 128.13 34.54 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.193 -0.669 . . . . 2.82 109.193 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.8 m -153.69 -26.08 0.14 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.577 0.703 . . . . 1.96 109.867 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -120.84 31.45 6.4 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.19 -0.67 . . . . 1.64 109.19 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -122.91 139.29 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 115.13 -0.941 . . . . 1.61 110.013 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.533 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 62.0 m -66.9 153.98 42.16 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.623 -1.171 . . . . 1.09 110.845 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -48.01 78.2 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.141 -0.482 . . . . 1.64 110.635 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -56.78 -54.41 46.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.176 0.512 . . . . 3.67 111.692 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.533 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -56.61 -38.58 72.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.873 -1.058 . . . . 1.21 111.722 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -68.44 -43.23 77.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.322 0.582 . . . . 4.13 109.845 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.42 -31.3 72.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.242 -0.89 . . . . 1.96 111.841 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.416 ' HG3' ' CB ' ' B' ' 13' ' ' ALA . 17.0 tppt? -66.61 -44.28 82.5 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.908 -0.587 . . . . 2.4 111.561 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.568 ' O ' ' HG3' ' B' ' 42' ' ' MET . 48.5 t -71.1 -38.47 71.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.371 -0.377 . . . . 1.22 111.337 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -67.39 -37.27 82.86 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.63 -0.507 . . . . 1.68 109.63 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.22 -46.76 63.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.866 -0.606 . . . . 1.3 110.649 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.57 ' O ' HD11 ' B' ' 45' ' ' LEU . . . -53.57 -26.72 22.75 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.667 -0.697 . . . . 1.29 112.495 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.568 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 37.4 mtt -68.61 -19.64 64.45 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.053 -0.521 . . . . 1.2 109.953 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.53 -55.31 3.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.896 -0.593 . . . . 1.34 112.033 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.55 -53.29 48.25 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.65 0.738 . . . . 1.58 111.497 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.687 ' O ' HG21 ' B' ' 4' ' ' VAL . 2.1 mt -77.36 -7.68 56.47 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.149 -1.387 . . . . 1.76 113.573 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.439 ' O ' HG12 ' B' ' 48' ' ' ILE . 3.4 t30 57.38 49.09 13.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.422 -0.584 . . . . 1.3 109.422 -177.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.594 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.0 t80 -55.83 125.34 20.91 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.726 -0.67 . . . . 2.36 109.82 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.439 HG12 ' O ' ' B' ' 46' ' ' ASN . 20.1 mm -131.08 98.67 18.63 Favored Pre-proline 0 N--CA 1.441 -0.88 0 N-CA-C 104.184 -2.525 . . . . 1.83 104.184 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -35.37 123.88 0.23 Allowed 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.863 3.042 . . . . 0.79 115.491 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.664 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 39.3 t-20 -65.02 75.88 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.413 -0.812 . . . . 0.85 109.777 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -50.59 -19.3 0.87 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.414 0.894 . . . . 5.23 113.414 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -75.67 -60.73 2.18 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 120.485 -0.486 . . . . 0.75 111.004 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.87 -25.16 63.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.101 -0.5 . . . . 1.34 110.097 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.664 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 30.9 mt-30 -65.85 -36.74 84.3 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.792 -0.64 . . . . 1.04 111.079 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.17 -27.56 57.0 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.424 0.631 . . . . 3.01 109.617 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.479 HD23 HD22 ' A' ' 56' ' ' LEU . 1.0 OUTLIER -72.19 -45.24 61.16 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.286 -0.87 . . . . 1.26 109.18 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.6 0.79 11.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.591 -0.731 . . . . 1.29 112.868 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.02 -83.04 0.33 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.674 -0.774 . . . . 1.6 111.87 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.95 128.7 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.468 -0.866 . . . . 5.31 111.874 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -72.75 107.11 5.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.76 -0.655 . . . . 7.24 110.193 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.83 -32.09 19.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.498 -0.319 . . . . 6.58 111.004 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.404 -0.807 . . . . 8.7 110.751 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.499 -1.607 0 C3'-C2'-C1' 99.216 -2.488 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . 0.561 H2'' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.825 0 C3'-C2'-C1' 99.357 -2.388 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.562 ' C4 ' ' C5 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 C3'-C2'-C1' 99.144 -2.54 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.562 ' C5 ' ' C4 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 C3'-C2'-C1' 99.791 -2.078 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.406 " H5'" " H1'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C3'-C2'-C1' 99.659 -2.172 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.503 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.976 0 C3'-C2'-C1' 99.971 -1.949 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.503 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.006 0 C3'-C2'-C1' 99.627 -2.195 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.172 0 C3'-C2'-C1' 99.345 -2.397 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.178 0 C3'-C2'-C1' 99.755 -2.103 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C3'-C2'-C1' 98.643 -2.898 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.512 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.454 0.729 0 O4'-C1'-C2' 103.661 -2.218 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.512 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.499 -1.567 0 C3'-C2'-C1' 99.068 -2.594 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.67 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.5 -1.499 0 C3'-C2'-C1' 99.721 -2.128 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.5 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C5'-C4'-C3' 118.172 2.315 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.511 -0.692 0 C5'-C4'-C3' 117.694 1.996 . . . . 1.18 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.819 0 O4'-C1'-C2' 104.032 -1.88 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.425 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.036 0 C3'-C2'-C1' 99.76 -2.1 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.425 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.092 0 C5'-C4'-C3' 117.819 2.079 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.029 0 C3'-C2'-C1' 99.793 -2.076 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.069 0 O4'-C1'-C2' 104.042 -1.871 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.511 -0.689 0 C3'-C2'-C1' 99.776 -2.089 . . . . 1.67 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.428 ' C6 ' ' H73' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.883 0 C3'-C2'-C1' 99.297 -2.431 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.428 ' H73' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.935 0 C3'-C2'-C1' 99.361 -2.385 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.027 0 C3'-C2'-C1' 100.421 -1.628 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C4'-C3'-C2' 102.302 -0.898 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.496 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.516 1.288 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.496 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.342 1.129 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.43 ' P ' ' HG1' ' B' ' 34' ' ' THR . . . . . . . . 0 C3'--C2' 1.527 0.908 0 C3'-C2'-C1' 105.379 1.913 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.41 " H5'" " H1'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.812 0 C4'-C3'-C2' 104.095 0.895 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.4 ' C6 ' ' H73' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-C2' 107.317 1.106 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.439 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.775 0 O4'-C1'-C2' 107.465 1.241 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.549 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.536 0.807 0 C4'-C3'-C2' 104.678 1.478 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.549 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-N19 108.369 0.712 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.456 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C5'-C4'-C3' 116.613 1.275 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.527 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.794 0 C3'-C2'-C1' 106.686 2.847 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.527 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C3'-C2'-C1' 100.937 -1.259 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.524 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C3'-C2'-C1' 104.712 1.437 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.493 " H1'" " H5'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C5'-C4'-O4' 107.935 -0.915 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.493 " H5'" " H1'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 O4'-C1'-C2' 107.403 1.185 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.574 ' C2 ' ' C2 ' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C2'-C3'-O3' 113.811 1.189 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.574 ' C2 ' ' C2 ' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 104.054 0.967 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C4'-C3' 106.465 0.865 . . . . 1.21 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.587 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C5'-C4'-C3' 116.164 0.976 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.587 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 C4'-C3'-C2' 104.064 0.864 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.407 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C1'-O4'-C4' 110.939 0.885 . . . . 1.82 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . 0.407 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 N19-C1'-C2' 115.943 1.089 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ttt . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.643 0.259 . . . . 7.3 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -115.56 102.4 54.3 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.497 -0.32 . . . . 6.26 110.544 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.71 113.62 3.09 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.449 2.099 . . . . 2.2 111.292 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.485 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 5.6 t -111.87 173.71 2.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 115.025 -0.989 . . . . 1.47 108.983 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.432 ' O ' HG22 ' A' ' 9' ' ' VAL . 9.9 p -133.6 162.5 31.75 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.048 -0.723 . . . . 1.36 109.048 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -67.69 -14.82 63.27 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.223 -0.658 . . . . 1.24 109.223 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -76.36 -39.98 52.4 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.729 -0.669 . . . . 0.82 109.899 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.58 -38.49 90.31 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.123 -1.065 . . . . 1.86 108.123 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 5' ' ' THR . 34.2 t -67.38 -47.98 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 113.11 -1.859 . . . . 1.31 109.086 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.75 90.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.436 -0.802 . . . . 1.25 111.41 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.91 -46.61 71.08 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 120.802 0.334 . . . . 2.41 111.586 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 25.3 t80 -67.15 -27.45 67.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.096 0.474 . . . . 2.57 111.48 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.08 -19.39 24.4 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 121.161 0.505 . . . . 1.32 109.84 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.8 47.7 13.97 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.524 -1.03 . . . . 0.72 110.524 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.25 -171.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.862 -0.669 . . . . 1.26 109.855 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.1 m -100.25 154.83 18.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.459 -0.571 . . . . 1.03 109.459 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -54.35 -43.22 71.08 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.19 -0.604 . . . . 2.26 110.608 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -60.25 -29.8 69.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 110.025 -0.361 . . . . 2.69 110.025 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 23' ' ' VAL . 23.1 m -68.41 -44.82 74.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.425 -0.583 . . . . 1.18 109.425 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.664 ' O ' HG23 ' A' ' 24' ' ' VAL . 65.1 t -60.12 -51.14 76.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.978 -1.01 . . . . 1.28 110.17 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 t -60.52 -26.58 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 1.22 111.078 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.422 ' CZ ' ' H72' ' C' ' 4' ' ' ' DT' . 6.1 mtm-85 -75.68 -26.81 57.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.923 -0.769 . . . . 3.12 108.923 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 19' ' ' THR . 95.9 t -84.12 -43.27 17.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.183 0.516 . . . . 1.33 109.976 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 20' ' ' VAL . 23.9 t -63.47 -47.87 89.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.376 -0.829 . . . . 1.37 113.145 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -106.49 -7.36 17.58 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.704 1.372 . . . . 1.24 114.704 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.528 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 25.3 mm-40 -135.44 -128.88 0.15 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.461 1.028 . . . . 5.01 110.013 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 26' ' ' GLN . . . 167.06 -39.07 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.742 1.277 . . . . 3.09 111.222 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 t -71.05 156.53 39.51 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.945 -0.57 . . . . 2.08 110.727 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.535 ' HB3' ' C7 ' ' C' ' 4' ' ' ' DT' . 49.3 m170 65.52 23.12 11.83 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 121.867 0.842 . . . . 2.33 109.11 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 t -136.68 125.5 36.22 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 114.506 -1.224 . . . . 1.54 109.83 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.474 ' HG ' " C3'" ' C' ' 3' ' ' ' DT' . 51.9 m -65.31 139.77 58.62 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.374 -0.83 . . . . 1.42 109.086 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.03 -43.58 77.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.123 -0.49 . . . . 1.68 111.637 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -57.11 -37.47 72.0 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.251 0.548 . . . . 3.58 110.893 -178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.592 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -78.25 -44.14 26.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.572 -0.74 . . . . 1.56 111.473 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -53.62 -49.71 67.25 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.579 0.585 . . . . 4.14 112.579 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 27.4 mt-10 -68.86 -23.14 64.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.366 -0.379 . . . . 1.72 111.853 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' ' 34' ' ' THR . 8.9 ptpt -86.6 -21.62 26.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.956 0.408 . . . . 1.95 110.889 -178.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.45 HG11 HG23 ' A' ' 20' ' ' VAL . 76.7 t -83.64 -40.12 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.536 -0.913 . . . . 1.27 108.536 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.06 -32.79 72.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.849 0.833 . . . . 1.7 109.404 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -69.79 -36.98 76.15 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.394 -1.275 . . . . 1.38 110.875 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.22 90.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.04 -0.527 . . . . 1.24 110.364 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 25.1 mtt -67.54 -24.2 65.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.046 -0.525 . . . . 1.29 111.561 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.56 33.25 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.798 0.809 . . . . 1.33 109.045 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 16.1 mm-40 -70.59 -58.98 3.11 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.308 -1.314 . . . . 1.55 111.479 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mt -81.64 -9.73 59.59 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.799 -1.546 . . . . 2.37 113.123 -176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.508 ' O ' HD11 ' A' ' 48' ' ' ILE . 10.5 m120 64.04 57.09 1.33 Allowed 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.625 -0.509 . . . . 2.34 109.625 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.485 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.6 t80 -78.53 125.61 29.6 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.782 -0.644 . . . . 2.17 111.398 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.508 HD11 ' O ' ' A' ' 46' ' ' ASN . 3.5 mp -114.84 115.59 43.54 Favored Pre-proline 0 C--N 1.316 -0.883 0 N-CA-C 107.057 -1.46 . . . . 1.99 107.057 176.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.03 125.98 20.87 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.637 2.225 . . . . 0.78 111.509 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -73.36 96.58 2.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.771 0.32 . . . . 0.69 111.666 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -60.25 -18.16 46.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 4.93 110.924 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -77.79 -48.43 16.57 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.603 -0.518 . . . . 0.7 109.603 -179.553 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.528 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -70.1 -35.63 74.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.587 -0.894 . . . . 1.2 108.587 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -58.65 -34.92 71.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.774 -1.103 . . . . 1.82 110.12 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 52' ' ' CYS . 1.5 pt20 -80.42 -29.73 37.65 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.753 -0.462 . . . . 3.08 109.753 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.425 HD22 ' CD2' ' B' ' 56' ' ' LEU . 9.8 tp -65.54 -51.9 56.42 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.656 0.265 . . . . 1.24 110.945 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.4 -17.95 55.7 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.396 0.617 . . . . 1.23 110.303 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.8 103.13 0.07 OUTLIER Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.075 -0.966 . . . . 1.86 111.393 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -59.94 -14.46 15.89 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.13 0.49 . . . . 6.73 111.386 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.467 ' HA ' ' NE2' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -153.45 46.19 0.65 Allowed 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.711 -0.848 . . . . 7.37 108.711 176.805 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 m 63.91 95.47 0.05 OUTLIER 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.596 -1.184 . . . . 7.76 110.648 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 C--O 1.248 0.988 0 CA-C-N 114.83 -1.077 . . . . 9.67 111.128 -179.336 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.9 mtm . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.72 0.295 . . . . 6.87 111.433 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -160.82 123.55 1.83 Allowed Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.079 -0.711 . . . . 5.86 109.079 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -62.82 116.99 3.89 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 121.521 1.481 . . . . 2.12 110.379 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.59 HG21 ' O ' ' B' ' 45' ' ' LEU . 85.1 t -81.65 161.97 3.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.825 -0.805 . . . . 1.33 108.825 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.669 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 15.1 p -135.36 163.71 29.4 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 121.199 -0.2 . . . . 1.29 111.182 -178.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.603 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.5 OUTLIER -53.3 -31.68 45.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.73 0.644 . . . . 1.29 110.207 175.718 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.557 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 17.2 m-85 -69.7 -34.66 74.22 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 116.424 -0.353 . . . . 2.01 111.296 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.32 -36.67 81.95 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 108.992 -0.744 . . . . 1.45 108.992 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.514 ' HA ' HD22 ' B' ' 45' ' ' LEU . 31.4 t -67.21 -46.19 84.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.511 -0.768 . . . . 1.22 111.172 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.1 -51.79 66.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.702 -0.681 . . . . 1.12 111.125 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.65 -41.04 80.64 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.273 -0.876 . . . . 2.46 112.283 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -72.55 -45.92 56.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.525 0.565 . . . . 2.19 112.525 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.498 ' HB2' ' HG3' ' B' ' 37' ' ' LYS . . . -69.48 -25.18 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.286 0.476 . . . . 1.26 112.286 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.43 45.82 6.75 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.035 -1.078 . . . . 1.09 111.702 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.76 171.08 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 N-CA-C 108.962 -0.755 . . . . 1.25 108.962 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.449 ' O ' ' HB ' ' B' ' 19' ' ' THR . 69.8 m -75.54 153.75 37.25 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 119.605 -0.838 . . . . 1.31 109.071 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.431 ' HD1' ' CD2' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -56.99 -41.89 79.26 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 123.363 0.415 . . . . 2.42 110.863 -178.579 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -29.23 69.33 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.666 0.27 . . . . 1.44 111.626 178.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.499 ' O ' HG23 ' B' ' 23' ' ' VAL . 95.5 m -62.07 -37.82 86.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.739 . . . . 1.22 109.037 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.482 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 4.4 t -67.55 -45.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.251 -0.886 . . . . 1.78 109.598 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 7.9 t -55.05 -51.62 65.74 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.434 -1.321 . . . . 1.13 107.434 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -50.62 -38.19 44.56 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.141 -1.39 . . . . 3.37 112.847 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.499 HG23 ' O ' ' B' ' 19' ' ' THR . 96.1 t -77.39 -39.95 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.497 -0.186 . . . . 1.37 110.497 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.4 -38.74 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 121.302 0.572 . . . . 1.33 110.504 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.13 -10.55 59.85 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.908 -0.587 . . . . 1.3 111.033 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 58.47 39.02 25.49 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.687 0.756 . . . . 4.39 109.403 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.77 171.69 14.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.002 -1.454 . . . . 2.82 112.027 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.8 t -86.29 179.26 6.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.492 -0.776 . . . . 1.96 110.546 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 38.0 m170 66.38 28.59 9.66 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.464 -0.789 . . . . 1.64 110.64 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -121.56 121.39 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 115.704 -0.68 . . . . 1.61 110.619 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.533 ' HG ' " H3'" ' D' ' 3' ' ' ' DT' . 68.0 m -70.68 152.79 43.47 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 116.366 -0.379 . . . . 1.09 110.147 179.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.21 -51.29 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 1.64 111.916 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -52.16 -59.3 4.54 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.339 0.399 . . . . 3.67 111.138 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.417 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -54.89 -37.53 66.41 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.757 -0.656 . . . . 1.21 111.352 179.322 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' B' ' 35' ' ' ARG . 18.5 ttm-85 -65.45 -52.33 53.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.532 0.682 . . . . 4.13 111.126 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.58 -26.39 63.5 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.277 -0.874 . . . . 1.96 112.099 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' B' ' 13' ' ' ALA . 3.1 tppt? -67.26 -46.33 74.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.572 -0.529 . . . . 2.4 109.572 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.446 ' CG1' HG12 ' B' ' 20' ' ' VAL . 92.3 t -65.9 -37.5 80.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.522 -0.763 . . . . 1.22 111.163 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -69.02 -31.63 70.57 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.018 0.437 . . . . 1.68 110.015 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.16 -49.11 65.91 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.158 0.504 . . . . 1.3 109.82 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.73 -29.83 41.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.958 -1.019 . . . . 1.29 111.24 178.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.443 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 67.3 mtt -61.38 -23.81 66.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.494 . . . . 1.2 110.695 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.68 -52.28 5.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 1.34 111.41 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.75 -39.62 81.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.716 0.77 . . . . 1.58 110.776 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.59 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -80.71 -18.52 47.58 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.925 -1.034 . . . . 1.76 112.18 -179.443 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 62.77 39.0 11.33 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.081 -1.452 . . . . 1.3 107.081 -176.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.573 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.9 t80 -56.99 124.48 18.84 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 114.672 -1.149 . . . . 2.36 110.755 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 91.4 mt -133.52 102.04 12.9 Favored Pre-proline 0 N--CA 1.434 -1.23 0 N-CA-C 103.358 -2.831 . . . . 1.83 103.358 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.446 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.6 OUTLIER -28.96 123.36 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 124.734 3.623 . . . . 0.79 115.573 -175.231 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.492 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 54.6 t-20 -62.5 77.8 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 114.617 -1.174 . . . . 0.85 110.683 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -50.39 -27.53 6.51 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.62 -0.718 . . . . 5.23 112.827 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.39 -62.75 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 0.75 110.785 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.91 78.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.371 -0.831 . . . . 1.34 110.889 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.494 ' HG2' " C5'" ' C' ' 13' ' ' ' DA' . 33.4 mt-30 -62.21 -28.8 69.94 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.819 -0.628 . . . . 1.04 112.042 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.653 ' HA ' ' HA ' ' B' ' 59' ' ' LYS . 46.9 mt-30 -83.09 -27.46 30.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.616 -0.513 . . . . 3.01 109.616 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.461 HD23 ' N3 ' ' D' ' 12' ' ' ' DG' . 4.4 mp -70.53 -42.77 70.78 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.891 -1.05 . . . . 1.26 109.688 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.417 ' CB ' ' H21' ' C' ' 12' ' ' ' DG' . . . -73.86 4.8 4.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.828 -1.078 . . . . 1.29 113.5 -177.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . 0.448 ' O ' ' HB2' ' B' ' 59' ' ' LYS . . . 131.87 20.75 1.04 Allowed Glycine 0 CA--C 1.521 0.453 0 C-N-CA 119.524 -1.322 . . . . 1.6 114.624 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.653 ' HA ' ' HA ' ' B' ' 55' ' ' GLN . 12.3 mptt 72.96 -95.78 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 117.149 0.474 . . . . 5.31 112.105 178.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.469 ' HB3' ' HG ' ' B' ' 62' ' ' LEU . 11.3 mm-40 -148.61 141.73 24.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.593 -0.276 . . . . 7.24 110.95 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.46 50.26 1.74 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.981 -0.554 . . . . 6.58 110.104 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.469 ' HG ' ' HB3' ' B' ' 60' ' ' GLN . 40.5 mt . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.502 -0.761 . . . . 8.7 110.56 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . 0.464 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.267 0 C3'-C2'-C1' 99.923 -1.984 . . . . 2.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . 0.464 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.826 0 C3'-C2'-C1' 99.768 -2.094 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.557 ' C8 ' ' H71' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.533 0 O4'-C1'-C2' 103.55 -2.318 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.557 ' H71' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 103.769 -2.119 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.535 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 C2'--C1' 1.509 -0.854 0 C3'-C2'-C1' 99.073 -2.591 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.5 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.503 -1.312 0 C3'-C2'-C1' 99.772 -2.091 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.419 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 O4'-C1'-C2' 103.931 -1.972 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.075 0 C3'-C2'-C1' 99.279 -2.443 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-C1' 99.501 -2.285 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C3'-C2'-C1' 99.175 -2.518 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.852 0 O4'-C1'-C2' 103.893 -2.006 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.257 0 C3'-C2'-C1' 98.69 -2.865 . . . . 0.89 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.669 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.584 -1.891 0 O4'-C1'-C2' 103.598 -2.274 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.603 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 P--OP1 1.495 0.6 0 C3'-C2'-C1' 99.513 -2.277 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.811 0 C5'-C4'-C3' 117.549 1.9 . . . . 1.18 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.935 0 C3'-C2'-C1' 100.11 -1.85 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.448 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.068 0 C3'-C2'-C1' 99.987 -1.938 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.448 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.226 0 C3'-C2'-C1' 99.66 -2.172 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.475 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.907 0 O4'-C1'-C2' 103.981 -1.927 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.454 0.737 0 O4'-C1'-C2' 103.74 -2.145 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.067 0 C3'-C2'-C1' 99.796 -2.075 . . . . 1.67 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.436 ' C6 ' ' H73' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 C3'-C2'-C1' 99.398 -2.358 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.436 ' H73' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.11 0 C3'-C2'-C1' 99.033 -2.619 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . 0.408 H2'' ' OP2' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.95 0 C3'-C2'-C1' 100.361 -1.671 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.408 ' OP2' H2'' ' D' ' -1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C5'-C4'-C3' 116.688 1.325 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.535 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.534 0.962 0 O4'-C4'-C3' 104.168 -1.432 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.535 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C1'-O4'-C4' 110.772 0.766 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.483 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.526 0.824 0 C3'-C2'-C1' 105.421 1.943 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.613 ' C8 ' ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 C5'-C4'-C3' 116.1 0.934 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.613 ' H71' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 C4'-C3'-C2' 104.108 0.908 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.479 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C3'-C2'-C1' 104.577 1.341 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.508 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-C2' 107.287 1.079 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.508 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C5'-C4'-O4' 107.899 -0.938 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.442 ' C6 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.622 1.22 0 C4'-C3'-C2' 101.599 -1.601 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.418 H2'' ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.042 0 O4'-C1'-C2' 107.526 1.297 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.461 ' N3 ' HD23 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.43 -0.621 0 C3'-C2'-C1' 101.146 -1.11 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.528 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.037 0 O4'-C4'-C3' 106.893 1.293 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.543 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-C1' 104.183 1.06 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.543 ' C6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 107.509 1.281 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.512 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 O4'-C1'-C2' 106.971 0.792 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.512 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 O4'-C4'-C3' 106.399 0.799 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.446 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.072 0 C5'-C4'-C3' 115.953 0.835 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.446 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.568 0 OP2-P-O3' 110.708 0.752 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.412 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C4'-C3'-C2' 102.203 -0.997 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.412 " H5'" " H1'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C5'-C4'-C3' 116.388 1.125 . . . . 1.82 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C5'-C4'-O4' 107.474 -1.204 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 110.105 -0.331 . . . . 7.3 110.105 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.475 ' HE3' ' O ' ' A' ' 3' ' ' PRO . 33.2 tptt -99.41 106.88 42.09 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 110.148 -0.316 . . . . 6.26 110.148 178.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.475 ' O ' ' HE3' ' A' ' 2' ' ' LYS . 38.3 Cg_endo -70.1 138.98 37.96 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 121.609 1.539 . . . . 2.2 110.439 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.614 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 26.1 t -100.35 168.9 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 107.271 -1.381 . . . . 1.47 107.271 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.0 p -135.09 165.17 25.99 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.344 -0.543 . . . . 1.36 109.765 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.423 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.7 pt? -63.32 -17.1 62.18 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.617 -0.72 . . . . 1.24 110.768 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -78.33 -38.53 41.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.568 -0.742 . . . . 0.82 110.397 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -65.37 -34.83 79.23 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 122.099 0.952 . . . . 1.86 108.66 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.541 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 38.2 t -68.32 -44.44 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.798 -1.546 . . . . 1.31 109.779 178.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -64.04 -40.14 95.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.27 -0.877 . . . . 1.25 110.699 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.94 -51.9 54.5 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.969 -0.293 . . . . 2.41 110.712 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.505 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 27.0 t80 -65.04 -24.77 67.57 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.205 0.446 . . . . 2.57 112.205 -177.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.541 ' HB1' ' O ' ' A' ' 9' ' ' VAL . . . -94.76 -15.66 23.66 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 120.761 -0.376 . . . . 1.32 111.057 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.76 35.65 31.18 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.798 -0.921 . . . . 0.72 110.798 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 35.0 m -131.94 -172.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 114.867 -0.666 . . . . 1.26 110.779 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 m -102.5 152.59 20.96 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.393 -0.821 . . . . 1.03 109.547 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.423 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 34.7 p90 -53.56 -39.57 64.88 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.363 -0.535 . . . . 2.26 110.671 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.85 -34.04 71.12 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.973 0.416 . . . . 2.69 110.194 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -67.96 -43.68 78.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.89 -0.595 . . . . 1.18 109.553 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.43 HG22 HG11 ' A' ' 38' ' ' VAL . 68.5 t -58.63 -51.05 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.096 -0.956 . . . . 1.28 110.926 177.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 m -64.78 -27.32 68.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.128 -0.487 . . . . 1.22 110.863 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.35 -33.19 73.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.747 -0.835 . . . . 3.12 108.747 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.5 t -82.72 -43.92 18.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.508 -0.769 . . . . 1.33 110.684 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.31 -44.13 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 115.557 -0.747 . . . . 1.37 111.874 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.51 HD22 ' P ' ' D' ' 14' ' ' ' DT' . 51.6 m-80 -96.47 -25.21 15.76 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.909 1.078 . . . . 1.24 113.909 -177.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.479 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 6.2 mt-30 -129.38 -120.48 0.23 Allowed 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.853 -0.425 . . . . 5.01 109.853 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 26' ' ' GLN . . . 156.95 -33.43 0.0 OUTLIER 'General case' 0 C--O 1.234 0.25 0 O-C-N 125.104 1.502 . . . . 3.09 109.04 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 4.5 t -68.38 147.84 51.53 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.841 -1.072 . . . . 2.08 109.161 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.477 ' HB2' ' O ' ' A' ' 28' ' ' SER . 50.8 m170 71.79 18.65 5.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.533 0.521 . . . . 2.33 110.677 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.0 t -131.06 130.76 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 109.267 -0.642 . . . . 1.54 109.267 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.535 ' HG ' " H3'" ' C' ' 3' ' ' ' DT' . 5.4 m -53.56 135.79 39.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.638 0.732 . . . . 1.42 110.574 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.06 -6.67 23.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.292 -0.867 . . . . 1.68 111.256 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -93.65 -47.3 6.87 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 107.683 -1.228 . . . . 3.58 107.683 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.556 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -70.37 -33.9 71.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.82 -1.082 . . . . 1.56 111.973 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -52.42 -49.21 64.99 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.286 0.565 . . . . 4.14 111.275 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -18.35 60.84 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.518 -0.764 . . . . 1.72 111.676 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -84.08 -29.23 26.98 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.429 -0.582 . . . . 1.95 109.429 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 34' ' ' THR . 88.8 t -77.62 -42.78 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 N-CA-C 108.496 -0.927 . . . . 1.27 108.496 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.72 -30.9 71.77 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.356 -0.979 . . . . 1.7 108.356 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -70.96 -38.73 72.82 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.989 -1.005 . . . . 1.38 109.954 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.56 -36.27 83.24 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.812 -0.631 . . . . 1.24 110.124 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.502 ' SD ' ' HD2' ' A' ' 47' ' ' TYR . 28.5 mtm -67.31 -23.81 65.68 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.596 -0.729 . . . . 1.29 112.226 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.5 -34.04 21.67 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.601 0.715 . . . . 1.33 109.183 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 52.3 mm-40 -65.54 -56.21 13.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.608 -1.178 . . . . 1.55 111.266 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.457 HD12 ' CB ' ' A' ' 12' ' ' TYR . 1.2 mt -81.93 -13.37 57.6 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 113.515 -1.675 . . . . 2.37 112.607 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.412 ' O ' HD11 ' A' ' 48' ' ' ILE . 24.1 m120 67.14 55.03 0.71 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.239 0.542 . . . . 2.34 109.819 -179.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.614 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.8 t80 -70.68 124.59 24.63 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.738 -0.664 . . . . 2.17 110.577 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.412 HD11 ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -110.28 117.47 51.34 Favored Pre-proline 0 N--CA 1.444 -0.761 0 N-CA-C 109.583 -0.525 . . . . 1.99 109.583 177.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.65 119.47 6.67 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.488 2.125 . . . . 0.78 111.745 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -80.73 101.39 9.27 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.369 0.604 . . . . 0.69 111.624 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -41.54 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.846 -1.07 . . . . 4.93 111.313 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -41.84 98.65 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 110.096 -0.335 . . . . 0.7 110.096 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.467 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -64.59 -48.99 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.582 -0.736 . . . . 1.2 110.077 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.418 ' HG2' " O3'" ' D' ' 13' ' ' ' DC' . 77.7 mt-30 -58.4 -34.69 71.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.539 -0.755 . . . . 1.82 110.773 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -78.08 -27.92 48.66 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.282 -0.417 . . . . 3.08 109.903 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.514 HD23 ' N3 ' ' C' ' 11' ' ' ' DG' . 9.9 tp -74.35 -53.58 9.37 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.12 0.486 . . . . 1.24 110.349 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.32 -15.12 61.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.295 0.85 . . . . 1.23 113.295 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.55 -121.99 0.61 Allowed Glycine 0 N--CA 1.44 -1.051 0 C-N-CA 119.802 -1.19 . . . . 1.86 112.705 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.84 137.16 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.265 0.626 . . . . 6.73 110.233 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -122.21 35.18 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.013 0.435 . . . . 7.37 110.136 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 m 61.01 34.15 19.44 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.19 -0.914 . . . . 7.76 110.978 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 C--O 1.247 0.945 0 CA-C-O 117.842 -1.075 . . . . 9.67 110.437 179.92 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 45.3 mtp . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 121.061 0.457 . . . . 6.87 110.268 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -125.06 122.66 25.41 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 116.079 -0.509 . . . . 5.86 109.825 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.0 121.8 10.72 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.414 2.076 . . . . 2.12 111.35 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.673 HG22 ' O ' ' B' ' 45' ' ' LEU . 61.4 t -87.39 164.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.421 -0.808 . . . . 1.33 110.929 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.691 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 18.9 p -133.61 160.42 37.54 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.475 -0.784 . . . . 1.29 109.74 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.483 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 1.7 tt -55.51 -26.09 40.87 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.279 0.561 . . . . 1.29 110.732 177.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.532 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 25.8 m-85 -69.24 -36.02 76.75 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.486 -0.779 . . . . 2.01 110.715 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -68.2 -34.88 77.08 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.785 -0.82 . . . . 1.45 108.785 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.26 -44.45 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 114.291 -1.322 . . . . 1.22 109.768 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.44 -48.98 75.88 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.716 -0.675 . . . . 1.12 111.164 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.96 -49.64 75.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.833 -1.076 . . . . 2.46 112.539 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.417 ' CB ' HD22 ' B' ' 45' ' ' LEU . 48.8 t80 -63.53 -46.62 85.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.01 0.374 . . . . 2.19 112.01 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.64 -23.08 64.39 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.938 0.347 . . . . 1.26 111.938 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.2 45.2 10.33 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 119.866 -1.159 . . . . 1.09 111.698 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.1 m -135.71 171.61 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 N-CA-C 107.81 -1.181 . . . . 1.25 107.81 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.423 ' OG ' " H2'" ' D' ' 5' ' ' ' DG' . 36.5 m -75.18 152.41 38.42 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.112 -0.699 . . . . 1.31 109.112 177.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -41.93 79.19 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.09 -0.337 . . . . 2.42 110.09 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -56.13 -35.51 67.2 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.051 0.453 . . . . 1.44 110.575 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.9 m -59.01 -39.43 81.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.337 -0.847 . . . . 1.22 110.343 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.483 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 3.4 t -67.75 -44.41 85.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.329 -0.85 . . . . 1.78 110.754 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 23.8 m -58.13 -44.38 87.76 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 107.326 -1.361 . . . . 1.13 107.326 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -55.0 -40.02 69.68 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 113.975 -1.466 . . . . 3.37 112.2 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 86.4 t -79.96 -35.37 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.297 0.57 . . . . 1.37 110.117 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.21 -29.39 45.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.524 -0.762 . . . . 1.33 110.409 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -99.19 -7.48 26.46 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.387 -0.824 . . . . 1.3 110.554 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 54.48 48.6 20.17 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.684 0.754 . . . . 4.39 108.982 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.63 -178.23 5.76 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.593 -1.185 . . . . 2.82 112.729 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 29.8 p -85.03 179.22 7.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 114.962 -1.017 . . . . 1.96 110.192 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.446 ' HB2' ' O ' ' B' ' 28' ' ' SER . 54.4 m170 69.1 21.67 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.57 0.544 . . . . 1.64 111.386 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.3 t -124.65 132.17 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.86 0.362 . . . . 1.61 110.193 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 62.4 m -72.69 153.05 41.37 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.071 -0.513 . . . . 1.09 109.784 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.62 55.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.393 0.516 . . . . 1.64 112.393 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.562 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 32.9 ttmt -57.34 -58.25 9.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.571 -0.74 . . . . 3.67 111.422 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.458 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -52.45 -33.89 46.27 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.85 0.357 . . . . 1.21 111.493 179.581 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -71.99 -46.13 58.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.57 0.7 . . . . 4.13 109.608 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.15 -35.58 79.21 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.055 -0.975 . . . . 1.96 111.694 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 52.8 mtpt -63.72 -41.93 98.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.828 0.347 . . . . 2.4 110.577 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 34' ' ' THR . 58.9 t -64.91 -39.64 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.381 -0.372 . . . . 1.22 111.575 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -66.62 -34.4 77.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.978 0.418 . . . . 1.68 110.056 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -47.03 72.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.121 -0.49 . . . . 1.3 110.482 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.03 -27.99 48.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.451 -0.795 . . . . 1.29 111.339 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 55.1 mtt -61.85 -20.91 64.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.901 -0.591 . . . . 1.2 109.872 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.75 -48.79 6.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.799 -0.637 . . . . 1.34 111.571 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -53.7 -52.82 58.84 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 122.135 0.969 . . . . 1.58 111.069 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.673 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -74.17 -17.47 60.91 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.198 -1.365 . . . . 1.76 111.56 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.509 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.5 OUTLIER 63.78 47.14 3.7 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.283 -1.377 . . . . 1.3 107.283 -174.607 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.599 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.5 t80 -52.69 119.35 4.46 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.158 -0.928 . . . . 2.36 111.422 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.509 HG12 ' O ' ' B' ' 46' ' ' ASN . 22.4 mm -129.18 103.54 18.32 Favored Pre-proline 0 N--CA 1.442 -0.874 0 N-CA-C 104.074 -2.565 . . . . 1.83 104.074 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -36.45 127.03 0.42 Allowed 'Trans proline' 0 N--CA 1.476 0.47 0 C-N-CA 123.736 2.957 . . . . 0.79 114.859 -176.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.467 HD21 " H5'" ' C' ' 12' ' ' ' DG' . 50.6 t-20 -63.63 85.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.028 -0.987 . . . . 0.85 110.772 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.435 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 16.3 mmt85 -47.89 -29.35 3.24 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.034 1.124 . . . . 5.23 114.034 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 2.6 m -74.24 -55.77 5.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.278 -0.569 . . . . 0.75 110.683 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.17 74.34 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.653 -0.703 . . . . 1.34 110.394 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -66.76 -34.0 76.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.801 -0.636 . . . . 1.04 111.189 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.435 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -75.68 -24.82 56.32 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.093 -1.077 . . . . 3.01 108.093 -179.396 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.503 HD23 ' N3 ' ' D' ' 12' ' ' ' DG' . 3.3 tp -82.77 -43.13 17.11 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.428 -1.26 . . . . 1.26 110.534 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.88 -8.4 58.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.34 0.496 . . . . 1.29 112.34 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 170.11 -87.13 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.389 -0.91 . . . . 1.6 112.87 -177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -130.47 155.05 47.1 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 117.092 0.446 . . . . 5.31 111.326 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -47.25 -39.4 14.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.091 0.774 . . . . 7.24 113.091 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 19.4 m -144.31 118.95 9.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.106 0.479 . . . . 6.58 110.61 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.325 -0.845 . . . . 8.7 110.324 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . 0.417 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.309 0 C3'-C2'-C1' 99.054 -2.605 . . . . 2.55 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . 0.417 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 C3'-C2'-C1' 99.603 -2.212 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.46 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.989 0 O4'-C1'-C2' 103.761 -2.126 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.535 " H3'" ' HG ' ' A' ' 31' ' ' SER . . . . . . . . 0 C2'--C1' 1.507 -0.981 0 O4'-C1'-C2' 103.784 -2.105 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.449 " H5'" " H1'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 99.788 -2.08 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.405 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.001 0 C3'-C2'-C1' 99.876 -2.017 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.405 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.824 0 C3'-C2'-C1' 99.486 -2.295 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.849 0 C3'-C2'-C1' 99.843 -2.041 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.139 0 C3'-C2'-C1' 99.837 -2.045 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C3'-C2'-C1' 99.165 -2.525 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.512 -0.651 0 C5'-C4'-C3' 117.727 2.018 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.514 ' N3 ' HD23 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.503 -1.304 0 C3'-C2'-C1' 99.028 -2.623 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.691 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.495 -1.869 0 O4'-C1'-C2' 103.726 -2.158 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.402 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C3'-C2'-C1' 99.076 -2.589 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.512 -0.641 0 C5'-C4'-C3' 117.774 2.05 . . . . 1.18 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.006 0 C3'-C2'-C1' 100.076 -1.874 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.438 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.974 0 O4'-C1'-C2' 104.082 -1.835 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.438 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.163 0 C3'-C2'-C1' 99.526 -2.267 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.463 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.923 0 C3'-C2'-C1' 99.721 -2.128 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.512 -0.652 0 O4'-C1'-C2' 103.664 -2.214 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.594 -1.12 0 C3'-C2'-C1' 99.579 -2.229 . . . . 1.67 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.486 H2'' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.17 0 C3'-C2'-C1' 99.636 -2.189 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.486 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.721 0 C3'-C2'-C1' 99.188 -2.509 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.067 0 C3'-C2'-C1' 100.857 -1.317 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C5'-C4'-C3' 116.262 1.042 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.502 H2'' " C5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.685 0 O4'-C4'-C3' 104.222 -1.378 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.502 " C5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-C2' 107.25 1.045 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.463 ' H71' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.529 1.063 0 C4'-C3'-C2' 104.673 1.473 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.463 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.219 0 C4'-C3'-C2' 104.383 1.183 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.493 H2'' " H5'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.089 0.899 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.519 H2'' " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 0.96 0 C5'-C4'-C3' 116.154 0.969 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.519 " H5'" H2'' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C2'-C3'-O3' 114.02 1.267 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.474 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.719 0 C1'-O4'-C4' 110.656 0.683 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.524 H2'' ' C5 ' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.681 0 C3'-C2'-C1' 104.246 1.104 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.524 ' C5 ' H2'' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C4'-C3' 107.068 1.468 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.503 ' N3 ' HD23 ' B' ' 56' ' ' LEU . . . . . . . . 0 P--O3' 1.617 0.802 0 C3'-C2'-C1' 101.222 -1.056 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.467 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 C3'-C2'-C1' 104.814 1.51 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.51 ' P ' HD22 ' A' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C4'-C3' 106.455 0.855 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.481 " H5'" " H1'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 C5'-C4'-C3' 115.916 0.811 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.552 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 C4'-C3'-C2' 102.281 -0.919 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.552 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C3'-C2'-C1' 104.448 1.248 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.438 H2'' ' OP2' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.012 0 C5'-C4'-O4' 107.771 -1.018 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.559 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.551 0 C4'-C3'-C2' 102.201 -0.999 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.559 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C4'-C3' 106.165 0.565 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 O4'-C4'-C3' 106.456 0.856 . . . . 1.82 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 N19-C1'-C2' 115.946 1.091 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.2 ttp . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 120.816 0.341 . . . . 7.3 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -71.49 140.56 84.68 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.338 -0.392 . . . . 6.26 110.497 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.63 153.16 73.68 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.346 2.03 . . . . 2.2 110.706 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.509 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 68.5 t -122.82 132.64 70.93 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 N-CA-C 108.869 -0.789 . . . . 1.47 108.869 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.2 p -95.86 171.73 8.46 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 113.497 0.925 . . . . 1.36 113.497 -178.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.2 pt? -66.5 -19.07 65.7 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 114.201 -1.363 . . . . 1.24 109.822 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -76.46 -38.94 54.62 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 115.781 -0.645 . . . . 0.82 109.978 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -64.94 -41.12 95.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.372 -1.344 . . . . 1.86 107.372 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 5' ' ' THR . 42.7 t -62.32 -43.89 98.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 113.466 -1.697 . . . . 1.31 110.421 177.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.84 -33.29 75.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.609 -0.723 . . . . 1.25 110.667 178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.63 -53.56 32.73 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.776 -0.647 . . . . 2.41 110.602 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.536 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 39.7 t80 -68.82 -25.43 64.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.508 0.671 . . . . 2.57 111.494 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 9' ' ' VAL . . . -86.26 -17.53 34.46 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.219 -0.901 . . . . 1.32 109.198 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.99 45.21 93.02 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.681 -1.368 . . . . 0.72 109.681 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 m -134.04 -167.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 113.955 -1.122 . . . . 1.26 109.102 -178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 m -102.19 150.74 22.97 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.049 -1.093 . . . . 1.03 108.049 176.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.486 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.2 p90 -55.58 -38.87 69.94 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 123.619 0.574 . . . . 2.26 109.651 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.412 ' HG2' ' N4 ' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -63.59 -29.92 71.11 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.051 -0.259 . . . . 2.69 110.724 177.089 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.491 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 98.6 m -67.93 -40.1 83.37 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.304 -0.628 . . . . 1.18 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.672 ' O ' HG22 ' A' ' 24' ' ' VAL . 39.9 t -59.22 -51.41 72.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.061 -0.972 . . . . 1.28 110.289 177.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.8 t -61.56 -27.42 68.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.163 -0.926 . . . . 1.22 110.311 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.491 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 12.5 mtm180 -69.8 -35.69 75.06 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.305 -0.628 . . . . 3.12 109.305 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.3 t -78.5 -43.38 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.445 0.64 . . . . 1.33 110.806 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 20' ' ' VAL . 41.2 t -61.82 -48.04 90.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.329 -0.85 . . . . 1.37 112.547 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.547 HD22 ' P ' ' D' ' 14' ' ' ' DT' . 72.6 m-20 -97.7 -17.27 19.53 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 114.991 1.478 . . . . 1.24 114.991 -176.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.673 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 88.0 mt-30 -130.7 -117.43 0.23 Allowed 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 121.409 -0.807 . . . . 5.01 111.948 -177.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.673 ' HB1' ' O ' ' A' ' 26' ' ' GLN . . . 152.31 -40.71 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.327 0 O-C-N 125.078 1.486 . . . . 3.09 109.333 -176.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 5.8 t -68.28 150.71 47.92 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.171 -0.677 . . . . 2.08 109.171 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 28' ' ' SER . 65.9 m170 70.52 16.19 7.04 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.574 0.702 . . . . 2.33 109.288 -178.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.5 t -134.26 123.35 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 CA-C-N 114.786 -1.097 . . . . 1.54 108.408 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -71.79 144.24 49.24 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.142 -0.688 . . . . 1.42 109.142 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.19 -35.76 49.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.796 -0.638 . . . . 1.68 112.179 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.26 -47.59 72.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.654 0.264 . . . . 3.58 111.63 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -77.2 -42.78 36.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.033 0.383 . . . . 1.56 112.033 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -51.2 -51.73 51.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.635 0.606 . . . . 4.14 112.635 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -72.6 -17.68 61.66 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.252 -0.885 . . . . 1.72 111.557 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -86.28 -29.84 22.76 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.152 -0.477 . . . . 1.95 110.035 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 34' ' ' THR . 93.0 t -79.69 -41.02 21.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.999 0.428 . . . . 1.27 109.861 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -62.9 -27.44 69.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.541 0.686 . . . . 1.7 109.369 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -76.2 -34.16 59.28 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.018 -0.992 . . . . 1.38 110.036 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.4 -43.64 89.96 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.35 0.595 . . . . 1.24 110.791 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.6 mtt -59.07 -27.92 65.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.982 -1.008 . . . . 1.29 112.804 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.41 -29.64 30.65 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.751 0.786 . . . . 1.33 110.043 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 22.2 mm-40 -70.49 -60.48 2.24 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.657 -1.156 . . . . 1.55 112.241 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.505 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -80.06 -14.17 58.74 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 114.3 -1.318 . . . . 2.37 111.773 -177.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 69.99 68.92 0.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.982 0.801 . . . . 2.34 109.793 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.509 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.6 t80 -80.28 126.66 31.42 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.988 -1.005 . . . . 2.17 110.242 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.81 106.24 55.42 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.601 -0.889 . . . . 1.99 108.601 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.45 118.74 5.52 Favored 'Trans proline' 0 N--CA 1.475 0.431 0 C-N-CA 122.689 2.259 . . . . 0.78 111.957 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -77.74 97.56 5.22 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.105 0.478 . . . . 0.69 110.832 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -62.32 -28.97 70.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.596 -0.729 . . . . 4.93 112.002 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.77 -34.29 66.88 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.54 -0.541 . . . . 0.7 109.54 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.506 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -70.74 -41.03 72.35 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.173 -0.677 . . . . 1.2 109.173 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -58.53 -43.01 89.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.36 -1.291 . . . . 1.82 109.243 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -67.81 -34.56 76.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.097 -0.956 . . . . 3.08 111.889 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.547 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 11.7 tp -67.71 -43.83 79.13 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.639 -0.255 . . . . 1.24 110.371 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.83 -19.0 58.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.966 0.412 . . . . 1.23 111.098 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.35 -109.76 0.44 Allowed Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.699 -0.762 . . . . 1.86 112.062 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -138.46 -167.71 2.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.429 -0.582 . . . . 6.73 109.429 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -98.85 -44.19 6.46 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 120.785 -0.366 . . . . 7.37 111.108 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.9 m 63.32 42.25 7.06 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.971 -0.559 . . . . 7.76 111.324 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 C--O 1.253 1.243 0 CA-C-O 118.662 -0.685 . . . . 9.67 109.644 178.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 109.319 -0.623 . . . . 6.87 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.418 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 0.0 OUTLIER -78.39 140.98 60.86 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 116.085 -0.507 . . . . 5.86 110.711 -178.802 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 27.7 Cg_exo -59.86 121.21 9.47 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.223 1.949 . . . . 2.12 110.966 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.656 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 74.0 t -63.73 160.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.243 -0.651 . . . . 1.33 109.243 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.737 HG22 ' OP1' ' C' ' 12' ' ' ' DG' . 32.6 p -135.82 163.19 30.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.922 -0.486 . . . . 1.29 110.595 -177.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.679 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.5 OUTLIER -51.28 -32.37 24.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.236 -0.893 . . . . 1.29 110.627 177.266 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.572 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 17.2 m-85 -66.63 -37.73 85.45 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.251 -0.431 . . . . 2.01 111.131 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.65 -41.71 87.82 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.448 -0.575 . . . . 1.45 109.448 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.445 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 41.7 t -64.66 -45.35 95.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.282 -0.872 . . . . 1.22 110.355 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.71 -52.86 61.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.245 -0.889 . . . . 1.12 111.461 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -56.01 -49.37 73.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.469 -0.787 . . . . 2.46 111.695 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -64.57 -49.89 69.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.713 -0.676 . . . . 2.19 111.881 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -27.56 69.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 112.015 0.376 . . . . 1.26 112.015 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.23 44.12 7.69 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.256 -0.973 . . . . 1.09 111.404 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.9 m -133.99 171.86 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 N-CA-C 108.179 -1.045 . . . . 1.25 108.179 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.446 ' O ' ' HB ' ' B' ' 19' ' ' THR . 68.9 m -74.74 155.37 37.75 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 107.618 -1.253 . . . . 1.31 107.618 175.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.436 ' OH ' ' C5 ' ' C' ' 13' ' ' ' DA' . 0.0 OUTLIER -61.55 -43.05 99.57 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 110.091 -0.337 . . . . 2.42 110.091 -178.809 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.472 ' O ' ' HG3' ' B' ' 22' ' ' ARG . 9.9 tp60 -55.33 -38.63 68.99 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.269 0.557 . . . . 1.44 110.455 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.446 ' HB ' ' O ' ' B' ' 16' ' ' SER . 23.5 m -53.44 -40.23 65.02 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.819 -1.082 . . . . 1.22 111.01 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.438 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 16.7 t -67.48 -45.56 85.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.279 -0.873 . . . . 1.78 110.665 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 38.5 m -52.13 -46.8 65.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.848 -1.167 . . . . 1.13 107.848 176.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' B' ' 18' ' ' GLN . 19.1 mtp85 -56.43 -41.2 76.0 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 113.796 -1.547 . . . . 3.37 112.061 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -74.5 -38.55 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.945 0.35 . . . . 1.37 111.945 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.95 -31.68 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-O 121.397 0.618 . . . . 1.33 111.182 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -97.15 -0.51 46.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.738 -0.665 . . . . 1.3 111.177 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 54.64 44.56 28.44 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.685 0.755 . . . . 4.39 109.963 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.55 173.81 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.855 -1.066 . . . . 2.82 110.281 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -89.99 175.21 7.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.915 0.388 . . . . 1.96 110.501 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.406 ' HB2' ' NH2' ' B' ' 22' ' ' ARG . 28.4 m170 71.38 34.9 1.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.578 -0.737 . . . . 1.64 110.899 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -130.28 130.61 65.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.496 -0.557 . . . . 1.61 109.496 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.444 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 35.5 m -71.76 152.22 42.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.517 -0.549 . . . . 1.09 109.517 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.68 -55.67 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.649 0.611 . . . . 1.64 112.649 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -54.62 -52.08 63.35 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.079 0.466 . . . . 3.67 110.244 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -55.72 -34.63 65.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.64 -0.709 . . . . 1.21 112.142 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -67.93 -47.12 69.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.341 0.591 . . . . 4.13 110.273 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.98 -33.68 75.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.983 -1.008 . . . . 1.96 111.658 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -65.17 -35.38 80.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.834 0.35 . . . . 2.4 110.112 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 34' ' ' THR . 59.7 t -71.61 -41.87 71.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.086 -0.506 . . . . 1.22 110.578 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.39 -28.49 67.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.878 -0.416 . . . . 1.68 109.878 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.77 -44.61 69.82 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.609 0.719 . . . . 1.3 109.325 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.09 -31.53 65.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.444 -1.253 . . . . 1.29 110.733 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 63.0 mtt -62.85 -20.6 65.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.479 -0.782 . . . . 1.2 110.164 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.96 -48.0 7.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.537 . . . . 1.34 110.879 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.43 -44.42 94.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.865 -0.607 . . . . 1.58 111.588 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.554 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -76.64 -19.08 58.18 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-N 116.42 -0.354 . . . . 1.76 111.129 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.572 ' O ' HG12 ' B' ' 48' ' ' ILE . 1.8 t30 62.75 46.13 5.4 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.8 -1.185 . . . . 1.3 107.8 -175.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.656 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.8 t80 -49.92 120.32 4.26 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 114.684 -1.143 . . . . 2.36 110.778 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.572 HG12 ' O ' ' B' ' 46' ' ' ASN . 39.4 mm -132.24 96.21 19.96 Favored Pre-proline 0 N--CA 1.441 -0.885 0 N-CA-C 104.376 -2.453 . . . . 1.83 104.376 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.493 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 10.5 Cg_exo -32.06 121.34 0.09 OUTLIER 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 125.119 3.879 . . . . 0.79 116.165 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.539 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 46.9 t-20 -53.42 124.57 15.18 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.41 -0.959 . . . . 0.85 108.41 178.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 3.2 mpt_? -89.66 -22.86 22.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 120.666 -1.271 . . . . 5.23 111.943 -176.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 94.8 m -83.37 -51.83 7.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.509 -0.769 . . . . 0.75 110.442 -178.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.42 ' HB1' ' ND2' ' B' ' 50' ' ' ASN . . . -66.77 -46.84 74.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.586 . . . . 1.34 111.272 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.539 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 59.6 mt-30 -65.59 -30.82 71.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.839 0.681 . . . . 1.04 112.839 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 1.0 OUTLIER -63.08 -52.37 62.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.601 -1.259 . . . . 3.01 107.601 179.128 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 mp -53.2 -43.74 67.43 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 114.674 -1.148 . . . . 1.26 111.871 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.88 -7.13 56.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.433 -0.349 . . . . 1.29 111.322 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.19 46.89 8.75 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.098 -1.049 . . . . 1.6 112.851 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' B' ' 54' ' ' GLN . 51.6 tptt -149.31 158.5 44.23 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 122.443 0.297 . . . . 5.31 110.71 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -149.24 -57.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.97 -0.752 . . . . 7.24 108.97 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.2 m -148.63 -69.35 0.22 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.686 -0.688 . . . . 6.58 109.409 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.527 -0.749 . . . . 8.7 109.604 179.75 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.497 -1.691 0 C3'-C2'-C1' 99.084 -2.583 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . 0.451 H2'' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.253 0 C3'-C2'-C1' 99.819 -2.058 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.451 ' C8 ' H2'' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.827 0 O4'-C1'-C2' 103.914 -1.987 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.52 ' C6 ' ' H73' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.039 0 O4'-C1'-C2' 103.826 -2.067 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.52 ' H73' ' C6 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C3'-C2'-C1' 99.857 -2.03 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.463 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.991 0 O4'-C1'-C2' 103.858 -2.038 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.442 ' H71' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 103.903 -1.997 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.978 0 C3'-C2'-C1' 99.322 -2.413 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.006 0 C3'-C2'-C1' 99.942 -1.97 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C3'-C2'-C1' 98.903 -2.712 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.511 -0.739 0 O4'-C1'-C2' 103.924 -1.978 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.547 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.501 -1.395 0 C3'-C2'-C1' 98.896 -2.717 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.737 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.498 -1.629 0 C3'-C2'-C1' 99.903 -1.998 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.679 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.42 -1.223 0 C5'-C4'-C3' 118.158 2.305 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.488 ' C2 ' ' N7 ' ' C' ' 15' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 C3'-C2'-C1' 99.943 -1.969 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . 0.488 ' N7 ' ' C2 ' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.002 0 O4'-C1'-C2' 104.1 -1.819 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.481 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.503 -1.286 0 O4'-C1'-C2' 104.137 -1.784 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.481 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.502 -1.327 0 C3'-C2'-C1' 99.818 -2.058 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.222 0 O4'-C1'-C2' 104.179 -1.746 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.126 0 O4'-C1'-C2' 104.084 -1.832 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.413 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-C2' 103.905 -1.995 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.437 ' C6 ' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 P--O3' 1.62 1.061 0 C3'-C2'-C1' 99.557 -2.245 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.437 ' H71' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.092 0 C3'-C2'-C1' 99.297 -2.43 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 C4'-C3'-C2' 101.577 -1.623 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.617 0.816 0 C5'-C4'-C3' 116.242 1.028 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.525 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.817 0 C5'-C4'-C3' 116.718 1.345 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.525 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 0.997 0 C5'-C4'-C3' 116.171 0.981 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.433 " C2'" " H5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 C3'-C2'-C1' 104.884 1.56 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.481 ' C8 ' ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.78 0 C4'-C3'-C2' 104.49 1.29 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.611 ' C6 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C3'-C2'-C1' 103.92 0.872 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.611 ' H72' ' C6 ' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C3'-C2'-C1' 104.68 1.415 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.525 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C3'-C2'-C1' 105.582 2.058 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.525 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-N19 108.385 0.731 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-C1' 104.177 1.055 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C3'-C2'-C1' 106.003 2.359 . . . . 1.55 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.478 " H1'" " H5'" ' D' ' 13' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.733 0 C3'-C2'-C1' 101.594 -0.79 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.506 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.421 -1.218 0 C4'-C3'-C2' 104.6 1.4 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.547 ' P ' HD22 ' A' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-C2' 106.867 0.697 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.507 " H1'" " H5'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O4'-C1'-C2' 108.008 1.735 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.556 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C1'-O4'-C4' 110.596 0.64 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.556 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.878 0.842 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.499 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.226 1.024 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.499 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C5'-C4'-O4' 108.421 -0.612 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.468 ' H72' ' C8 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 C3'-C2'-C1' 101.688 -0.723 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.534 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C3'-C2'-C1' 104.51 1.293 . . . . 1.82 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . 0.534 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 N19-C1'-C2' 116.144 1.215 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.454 ' HE3' ' O ' ' A' ' 2' ' ' LYS . 12.9 tpt . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.181 -0.303 . . . . 7.3 110.181 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.454 ' O ' ' HE3' ' A' ' 1' ' ' MET . 14.6 tppt? -68.97 113.93 19.71 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 6.26 110.267 178.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.64 147.83 51.99 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.253 1.969 . . . . 2.2 111.923 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.468 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 84.2 t -122.8 130.06 74.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.437 -0.949 . . . . 1.47 108.437 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.477 ' O ' HG22 ' A' ' 9' ' ' VAL . 22.6 p -97.41 171.83 8.15 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 113.44 0.904 . . . . 1.36 113.44 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -66.37 -17.92 65.05 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 114.071 -1.422 . . . . 1.24 109.338 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.61 -40.88 61.28 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.149 -0.932 . . . . 0.82 110.552 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -64.66 -41.62 95.97 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.586 -1.264 . . . . 1.86 107.586 178.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 5' ' ' THR . 44.1 t -60.01 -47.01 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 112.863 -1.971 . . . . 1.31 109.044 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.06 -36.45 81.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.139 -0.937 . . . . 1.25 111.798 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.15 -46.84 63.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.065 0.46 . . . . 2.41 111.115 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.55 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 69.1 t80 -71.09 -28.49 64.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.912 -0.586 . . . . 2.57 111.071 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 9' ' ' VAL . . . -84.61 -19.25 33.3 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 109.525 -0.546 . . . . 1.32 109.525 -179.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.01 46.6 43.25 Favored Glycine 0 CA--C 1.502 -0.772 0 N-CA-C 110.548 -1.021 . . . . 0.72 110.548 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.5 -169.56 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.086 -1.057 . . . . 1.26 109.329 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.2 m -102.66 150.34 23.53 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 108.606 -0.887 . . . . 1.03 108.606 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.462 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 36.6 p90 -51.28 -38.48 53.03 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.035 -0.53 . . . . 2.26 110.384 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.527 ' NE2' ' N6 ' ' D' ' 16' ' ' ' DA' . 0.0 OUTLIER -60.06 -33.71 72.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 2.69 111.302 176.462 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.9 m -68.68 -44.4 74.1 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.295 0.569 . . . . 1.18 109.775 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 24' ' ' VAL . 71.4 t -61.16 -46.89 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 CA-C-N 115.08 -0.964 . . . . 1.28 110.139 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -61.39 -32.9 72.85 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.496 -0.774 . . . . 1.22 110.942 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.553 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 24.9 mtm180 -68.89 -30.3 68.77 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.857 -0.794 . . . . 3.12 108.857 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -78.21 -45.09 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 CA-C-N 115.605 -0.725 . . . . 1.33 109.422 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 20' ' ' VAL . 26.0 t -60.63 -43.06 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 115.562 -0.744 . . . . 1.37 109.423 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -64.65 -32.35 73.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.073 -0.967 . . . . 1.24 110.94 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 67.84 47.02 1.17 Allowed 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.415 0.447 . . . . 5.01 110.958 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.19 -151.48 0.46 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.234 0.54 . . . . 3.09 110.644 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -99.81 -172.65 2.28 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.714 -0.847 . . . . 2.08 108.714 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.7 m170 66.87 25.76 9.44 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.833 -0.432 . . . . 2.33 109.833 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.553 ' CG2' ' HB3' ' A' ' 22' ' ' ARG . 32.3 t -135.21 120.74 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.485 -0.779 . . . . 1.54 109.953 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.642 ' HG ' " H3'" ' C' ' 3' ' ' ' DT' . 1.3 p -78.84 137.75 37.84 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.703 -0.851 . . . . 1.42 108.703 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -51.57 -39.64 58.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 1.68 112.512 -178.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -51.03 65.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.469 0.652 . . . . 3.58 111.372 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.566 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -71.86 -36.12 70.02 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.109 -0.95 . . . . 1.56 111.825 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -57.84 -48.64 79.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.13 0.49 . . . . 4.14 111.229 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 22.4 mt-10 -71.07 -19.48 62.47 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.542 -0.754 . . . . 1.72 112.823 -178.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 34' ' ' THR . 14.6 ptpt -85.62 -28.98 24.43 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.185 -0.606 . . . . 1.95 109.695 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.566 HG21 ' O ' ' A' ' 34' ' ' THR . 88.8 t -80.06 -41.36 21.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.305 -0.861 . . . . 1.27 109.482 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.23 -29.25 70.27 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.191 -1.041 . . . . 1.7 108.191 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.583 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -72.75 -40.18 66.25 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 114.366 -1.288 . . . . 1.38 110.433 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.91 87.6 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.833 -0.622 . . . . 1.24 110.621 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 30.8 mtt -64.27 -23.69 67.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.198 -0.91 . . . . 1.29 111.275 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.72 -32.86 20.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.567 0.699 . . . . 1.33 110.237 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 47.2 mm-40 -67.77 -59.39 3.35 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.575 -1.193 . . . . 1.55 111.539 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' O ' HG22 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -80.99 -11.38 59.57 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.179 -1.373 . . . . 2.37 111.94 -177.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 67.57 61.65 0.45 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.607 0.718 . . . . 2.34 110.73 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.7 t80 -78.97 129.93 35.0 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.105 -0.952 . . . . 2.17 112.143 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -114.74 112.46 45.26 Favored Pre-proline 0 N--CA 1.446 -0.63 0 CA-C-N 115.496 -0.774 . . . . 1.99 109.655 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -63.5 120.68 8.19 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.465 2.11 . . . . 0.78 111.892 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.527 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 51.1 m-80 -77.48 100.2 5.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.35 -0.841 . . . . 0.69 111.253 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.51 ' HD2' ' OE1' ' A' ' 54' ' ' GLN . 6.6 mmm180 -59.68 -30.19 68.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.191 -0.459 . . . . 4.93 112.057 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.4 -33.48 73.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.894 0.378 . . . . 0.7 111.06 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.521 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -74.97 -39.6 61.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.385 0.612 . . . . 1.2 109.389 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.539 ' HG2' " O3'" ' D' ' 13' ' ' ' DC' . 43.4 mt-30 -64.92 -37.69 88.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.964 -1.016 . . . . 1.82 109.53 178.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -31.66 68.25 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.656 -0.702 . . . . 3.08 109.228 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.43 HD21 HD23 ' B' ' 56' ' ' LEU . 9.9 tp -68.93 -52.7 26.55 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.45 -0.795 . . . . 1.24 111.61 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.86 -14.66 61.54 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.625 0.972 . . . . 1.23 113.625 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.37 56.59 0.41 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 118.942 -1.599 . . . . 1.86 114.019 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -70.41 -26.27 63.61 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.975 0.417 . . . . 6.73 110.888 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.45 1.27 6.64 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.852 -0.613 . . . . 7.37 112.17 -178.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.6 p -77.83 -22.67 49.62 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.458 -0.571 . . . . 7.76 109.458 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.2 mt . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.352 -0.84 . . . . 9.67 110.079 179.509 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.718 -0.475 . . . . 6.87 109.718 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -72.1 -45.41 11.27 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 112.725 0.639 . . . . 5.86 112.725 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.93 127.28 24.27 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 121.805 1.67 . . . . 2.12 111.425 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.65 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 99.4 t -84.38 163.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 115.453 -0.794 . . . . 1.33 110.895 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.677 HG22 ' OP1' ' C' ' 12' ' ' ' DG' . 23.0 p -133.52 158.18 43.79 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 116.349 -0.387 . . . . 1.29 110.188 -177.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.439 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.8 OUTLIER -54.52 -30.5 53.86 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.913 0.387 . . . . 1.29 110.914 177.039 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.52 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 33.4 m-85 -65.89 -34.85 79.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.854 -0.612 . . . . 2.01 111.466 -178.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -70.55 -36.95 73.95 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.377 -0.601 . . . . 1.45 109.377 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.463 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 31.5 t -64.83 -45.28 95.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.26 -0.882 . . . . 1.22 110.455 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.2 -54.76 39.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.651 -0.704 . . . . 1.12 111.134 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.89 -44.67 94.09 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.091 -0.959 . . . . 2.46 112.885 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -63.8 -43.07 97.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.995 0.426 . . . . 2.19 111.447 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.59 -23.1 59.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.785 -0.643 . . . . 1.26 111.523 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.03 44.5 7.6 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.401 -0.905 . . . . 1.09 111.497 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.401 ' HB ' HG21 ' B' ' 19' ' ' THR . 22.5 m -131.32 171.77 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 109.416 -0.587 . . . . 1.25 109.416 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 53.9 m -76.66 162.66 27.55 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.324 -0.991 . . . . 1.31 108.324 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.46 ' OH ' ' C5 ' ' C' ' 13' ' ' ' DA' . 0.0 OUTLIER -67.48 -40.13 85.27 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.742 -0.383 . . . . 2.42 110.492 -178.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -58.35 -27.88 64.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.78 0.8 . . . . 1.44 110.516 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.401 HG21 ' HB ' ' B' ' 15' ' ' VAL . 8.2 m -67.24 -50.48 60.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.099 -0.955 . . . . 1.22 112.383 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.412 ' CG1' HD21 ' B' ' 6' ' ' LEU . 2.7 p -62.02 -43.81 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.559 -0.291 . . . . 1.78 110.897 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -57.12 -50.57 72.39 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.533 0.683 . . . . 1.13 109.24 176.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 mtt85 -50.1 -39.77 43.69 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.735 -1.121 . . . . 3.37 112.689 179.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.404 HG13 ' HB ' ' B' ' 38' ' ' VAL . 56.1 t -69.82 -37.7 73.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.132 0.491 . . . . 1.37 110.975 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.12 -34.06 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 CA-C-N 115.575 -0.739 . . . . 1.33 111.007 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.457 HD22 ' P ' ' C' ' 14' ' ' ' DT' . 46.0 m-80 -100.75 2.42 41.3 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.349 -0.387 . . . . 1.3 111.703 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' B' ' 25' ' ' ASN . 37.8 mt-30 75.0 -53.06 0.67 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.912 0.885 . . . . 4.39 109.206 -177.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.2 -129.24 0.41 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.484 -1.689 . . . . 2.82 110.352 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.4 p -158.32 -42.99 0.06 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.272 0.558 . . . . 1.96 109.859 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -85.71 56.95 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.73 -0.668 . . . . 1.64 110.053 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.5 t -136.39 130.14 47.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 1.61 110.618 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.597 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 18.4 m -78.67 150.22 32.65 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.346 -0.612 . . . . 1.09 109.346 178.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.44 -51.59 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.095 0.405 . . . . 1.64 112.095 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -56.3 -51.69 67.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.856 -0.611 . . . . 3.67 111.016 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.597 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -56.71 -39.1 73.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.288 -0.414 . . . . 1.21 111.302 179.401 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -66.34 -47.36 73.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.906 0.384 . . . . 4.13 110.928 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -64.54 -34.5 78.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 1.96 111.21 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -58.95 -47.83 83.69 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.203 0.525 . . . . 2.4 109.764 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.518 ' O ' ' HG3' ' B' ' 42' ' ' MET . 61.0 t -66.23 -40.28 86.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.595 -0.73 . . . . 1.22 111.412 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.64 -36.95 85.9 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 110.07 -0.344 . . . . 1.68 110.07 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.88 -49.07 69.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.183 0.516 . . . . 1.3 109.961 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.38 63.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.413 -0.812 . . . . 1.29 111.359 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.518 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 62.1 mtt -59.2 -23.26 62.11 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.917 0.389 . . . . 1.2 111.104 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.54 -46.4 8.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.619 -0.719 . . . . 1.34 111.027 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -60.96 -37.86 83.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.606 0.717 . . . . 1.58 111.22 -178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.642 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -82.94 -17.87 42.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.89 -1.05 . . . . 1.76 112.394 -179.252 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.492 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.2 OUTLIER 66.15 39.0 4.45 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 106.859 -1.534 . . . . 1.3 106.859 -174.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.65 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.0 t80 -56.78 121.26 9.4 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 114.671 -1.15 . . . . 2.36 111.084 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.492 HG12 ' O ' ' B' ' 46' ' ' ASN . 15.9 mm -127.01 102.83 24.07 Favored Pre-proline 0 N--CA 1.431 -1.391 0 N-CA-C 104.883 -2.266 . . . . 1.83 104.883 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -34.6 123.59 0.18 Allowed 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.951 3.101 . . . . 0.79 114.845 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.49 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 53.3 t-20 -66.03 81.9 0.08 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.319 -0.855 . . . . 0.85 110.825 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -51.5 -16.68 0.63 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.153 0.981 . . . . 5.23 113.569 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.403 ' HB2' ' OD1' ' B' ' 50' ' ' ASN . 60.1 m -79.38 -56.32 4.42 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.37 -0.377 . . . . 0.75 110.354 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.23 -30.35 48.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.507 -0.315 . . . . 1.34 111.194 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.505 ' HG2' H5'' ' C' ' 13' ' ' ' DA' . 21.2 mt-30 -62.02 -44.13 97.37 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.499 -0.319 . . . . 1.04 110.269 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -60.16 -46.36 89.94 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.598 -0.89 . . . . 3.01 108.598 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 53' ' ' ALA . 1.5 mp -55.64 -49.64 72.33 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.507 -0.77 . . . . 1.26 111.575 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.31 -1.39 10.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.001 -0.545 . . . . 1.29 112.335 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.93 41.79 10.24 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 121.111 -0.566 . . . . 1.6 112.386 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.431 ' HD2' H5'' ' C' ' 13' ' ' ' DA' . 5.0 tttm -132.59 140.64 48.33 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.931 0.345 . . . . 5.31 111.931 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -175.7 -22.8 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.25 0.344 . . . . 7.24 111.754 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -42.12 61.54 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.228 0.537 . . . . 6.58 111.386 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 39.5 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 117.975 -1.012 . . . . 8.7 109.572 -179.626 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.498 -1.662 0 C3'-C2'-C1' 99.567 -2.238 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . 0.499 H2'' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.758 0 C3'-C2'-C1' 99.538 -2.259 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.499 ' C8 ' H2'' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 103.897 -2.003 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.642 " H3'" ' HG ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-C1' 99.996 -1.931 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.607 ' H72' ' C6 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C3'-C2'-C1' 100.014 -1.918 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.436 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.157 0 O4'-C1'-C2' 104.067 -1.848 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.436 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.858 0 C3'-C2'-C1' 99.367 -2.381 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.27 0 C3'-C2'-C1' 99.159 -2.529 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . 0.402 ' C6 ' ' C6 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.505 -1.157 0 C3'-C2'-C1' 99.382 -2.37 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . 0.457 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.579 0 C3'-C2'-C1' 99.398 -2.358 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.457 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.815 0 O4'-C1'-C2' 103.736 -2.149 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.443 ' C5 ' ' C6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.499 -1.591 0 C3'-C2'-C1' 98.275 -3.16 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.677 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.584 -1.911 0 C3'-C2'-C1' 99.832 -2.049 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.505 H5'' ' HG2' ' B' ' 54' ' ' GLN . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 C3'-C2'-C1' 99.384 -2.368 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.476 ' C2 ' ' N7 ' ' C' ' 15' ' ' ' DA' . . . . . . . . 0 P--O3' 1.591 -1.336 0 C3'-C2'-C1' 99.825 -2.054 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . 0.476 ' N7 ' ' C2 ' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.038 0 C3'-C2'-C1' 99.937 -1.974 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.434 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.011 0 O4'-C1'-C2' 104.07 -1.846 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.434 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C5'-C4'-C3' 117.88 2.12 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.961 0 C3'-C2'-C1' 99.885 -2.011 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.102 0 O4'-C1'-C2' 104.124 -1.796 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.419 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.598 -0.747 0 C3'-C2'-C1' 99.676 -2.16 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.419 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.122 0 C3'-C2'-C1' 99.197 -2.502 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.403 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.454 0.761 0 O4'-C1'-C2' 103.778 -2.111 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . 0.409 H2'' ' OP2' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.092 0 C3'-C2'-C1' 101.65 -0.75 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.409 ' OP2' H2'' ' D' ' -1' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.723 0 C4'-C3'-C2' 102.221 -0.979 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.416 " C2'" ' H72' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-C2' 107.434 1.212 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.416 ' H72' " C2'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C1'-O4'-C4' 110.79 0.779 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.527 0.894 0 C3'-C2'-C1' 105.435 1.954 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.511 " C2'" ' H73' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.796 0 C4'-C3'-C2' 104.0 0.8 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.511 ' H73' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-C2' 107.444 1.222 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.434 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 P--O3' 1.618 0.887 0 C3'-C2'-C1' 104.883 1.559 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.558 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.891 0 O4'-C1'-C2' 107.004 0.822 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.558 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-C2' 105.379 -0.656 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.468 H2'' ' OP2' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 C5'-C4'-C3' 115.845 0.764 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.468 ' OP2' H2'' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C3'-C2'-C1' 105.913 2.295 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.445 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C3'-C2'-C1' 101.556 -0.817 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.539 " O3'" ' HG2' ' A' ' 54' ' ' GLN . . . . . . . . 0 C2'--C1' 1.507 -0.998 0 C5'-C4'-C3' 117.114 1.61 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.494 ' C2 ' ' C4 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.877 0 C5'-C4'-O4' 108.176 -0.765 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.512 ' N4 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 P--O3' 1.621 1.176 0 O4'-C1'-C2' 107.765 1.514 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.527 ' N6 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C5'-C4'-C3' 116.131 0.954 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.492 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 P--O3' 1.615 0.637 0 N19-C1'-C2' 115.117 0.573 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.462 ' C6 ' ' N6 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C5'-C4'-C3' 116.142 0.962 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.523 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 102.476 -0.724 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.523 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 N19-C1'-C2' 115.225 0.641 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.512 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C3'-C2'-C1' 104.343 1.173 . . . . 1.82 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . 0.512 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 N19-C1'-C2' 115.682 0.926 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.433 ' HE1' ' HB3' ' A' ' 46' ' ' ASN . 60.9 ttp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 109.775 -0.454 . . . . 7.3 109.775 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -71.28 156.87 91.17 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.344 -0.389 . . . . 6.26 110.402 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.96 147.7 91.84 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.788 1.659 . . . . 2.2 109.803 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.618 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 3.3 t -95.76 169.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 109.031 -0.729 . . . . 1.47 109.031 -178.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 p -135.59 163.15 30.77 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.174 -0.676 . . . . 1.36 109.174 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -65.24 -17.61 64.63 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.669 -0.493 . . . . 1.24 109.669 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' HE1' ' CD2' ' A' ' 17' ' ' TYR . 64.1 m-85 -76.76 -37.21 56.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.854 -0.612 . . . . 0.82 109.705 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.75 -38.24 89.77 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 122.689 1.233 . . . . 1.86 108.063 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.76 -47.85 74.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 113.167 -1.833 . . . . 1.31 109.77 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.81 91.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.479 -0.782 . . . . 1.25 110.92 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.39 -52.44 61.64 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.091 -0.504 . . . . 2.41 110.693 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.516 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 32.0 t80 -65.95 -25.66 67.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 2.57 111.93 -178.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.16 -17.36 23.83 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-O 120.903 0.382 . . . . 1.32 110.417 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.75 37.53 26.16 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.286 -0.726 . . . . 0.72 111.286 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -133.24 179.09 4.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 114.79 -0.705 . . . . 1.26 110.11 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.4 m -88.06 159.96 18.03 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.916 -0.772 . . . . 1.03 108.916 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.433 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 17.1 p90 -58.82 -41.93 88.0 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.98 -0.688 . . . . 2.26 109.385 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -60.95 -29.08 69.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.021 -0.536 . . . . 2.69 111.596 177.791 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.0 m -68.04 -39.09 83.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.021 -0.733 . . . . 1.18 109.021 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 24' ' ' VAL . 95.2 t -63.03 -50.22 80.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.087 -0.961 . . . . 1.28 110.662 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 m -60.67 -29.89 69.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.449 -0.342 . . . . 1.22 111.29 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 33.3 mtm180 -72.14 -28.88 63.54 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.706 -0.479 . . . . 3.12 109.706 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -84.04 -40.66 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 1.33 110.317 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 20' ' ' VAL . 51.8 t -65.96 -51.09 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 115.543 -0.753 . . . . 1.37 111.648 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.492 HD22 ' P ' ' D' ' 14' ' ' ' DT' . 43.0 m-80 -80.19 -33.68 38.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.137 -0.938 . . . . 1.24 113.366 -178.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.629 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 54.2 mt-30 -133.45 -109.31 0.23 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 120.495 -0.482 . . . . 5.01 111.052 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 26' ' ' GLN . . . 158.43 -34.45 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 124.611 1.194 . . . . 3.09 110.392 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.94 155.71 39.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.427 -0.806 . . . . 2.08 110.846 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.5 m170 68.82 17.03 8.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.368 0.604 . . . . 2.33 110.941 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.48 131.83 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 107.37 -1.344 . . . . 1.54 107.37 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.447 ' HG ' " H3'" ' C' ' 3' ' ' ' DT' . 2.8 m -54.82 139.9 38.28 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.747 0.784 . . . . 1.42 110.713 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.02 -8.68 39.62 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.402 -0.817 . . . . 1.68 112.462 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.49 -36.59 12.37 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.387 -1.338 . . . . 3.58 107.387 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.594 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -75.86 -36.32 59.6 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 114.645 -1.161 . . . . 1.56 112.505 -179.673 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -52.43 -50.1 63.25 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.624 0.601 . . . . 4.14 112.624 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -72.6 -21.46 61.12 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.073 0.463 . . . . 1.72 111.125 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -81.84 -31.14 31.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.731 -0.668 . . . . 1.95 110.386 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.594 HG22 ' O ' ' A' ' 34' ' ' THR . 89.1 t -76.23 -43.39 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.127 -0.694 . . . . 1.27 109.127 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -63.99 -27.72 69.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.371 -0.831 . . . . 1.7 109.453 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.57 -35.01 63.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.162 -0.926 . . . . 1.38 109.984 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.53 87.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 1.24 110.384 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.0 mtt -64.4 -26.8 68.62 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.69 -0.686 . . . . 1.29 112.074 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.49 -30.69 37.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.007 0.908 . . . . 1.33 109.676 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.516 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 59.9 mm-40 -70.12 -59.16 3.06 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-N 114.116 -1.402 . . . . 1.55 110.822 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.61 -14.72 57.95 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.113 -1.858 . . . . 2.37 111.85 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.433 ' HB3' ' HE1' ' A' ' 1' ' ' MET . 0.1 OUTLIER 63.84 55.49 1.62 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.438 0.637 . . . . 2.34 110.184 -179.089 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 11.6 t80 -71.97 125.82 28.18 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.287 -0.87 . . . . 2.17 111.915 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.88 114.83 53.92 Favored Pre-proline 0 N--CA 1.443 -0.823 0 N-CA-C 108.727 -0.842 . . . . 1.99 108.727 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.92 118.61 5.49 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.794 2.33 . . . . 0.78 111.745 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.521 ' HB2' ' OP1' ' D' ' 13' ' ' ' DC' . 5.7 m-20 -70.91 100.54 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.653 0.612 . . . . 0.69 112.653 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt-85 -64.1 -20.78 66.2 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.354 -0.839 . . . . 4.93 111.786 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -77.9 -48.92 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.307 . . . . 0.7 110.561 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.575 ' HB2' " C5'" ' D' ' 13' ' ' ' DC' . . . -65.11 -38.81 91.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.154 -0.684 . . . . 1.2 109.154 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -53.23 -44.53 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.638 -1.165 . . . . 1.82 110.02 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -70.98 -36.02 72.35 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.433 -0.803 . . . . 3.08 109.988 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' B' ' 56' ' ' LEU . 7.2 tp -64.83 -52.94 54.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.999 -0.546 . . . . 1.24 111.693 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.74 -20.95 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.475 0.917 . . . . 1.23 113.475 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.65 107.99 0.54 Allowed Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.533 -0.841 . . . . 1.86 113.126 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' HZ2' " C3'" ' D' ' 14' ' ' ' DT' . 0.0 OUTLIER -63.44 -27.66 69.44 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.152 0.501 . . . . 6.73 110.031 178.898 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -93.19 -71.35 0.66 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.745 -0.661 . . . . 7.37 110.842 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.3 m 59.8 36.12 22.08 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.813 -0.631 . . . . 7.76 111.22 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.5 mt . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.548 -0.739 . . . . 9.67 110.198 179.654 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.472 0.66 0 CA-C-O 121.08 0.467 . . . . 6.87 109.999 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -111.92 124.82 31.45 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.943 -0.571 . . . . 5.86 110.363 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.77 130.38 18.0 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.969 1.78 . . . . 2.12 110.893 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.713 HG21 ' O ' ' B' ' 45' ' ' LEU . 97.0 t -75.93 158.62 5.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.136 -0.69 . . . . 1.33 109.136 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.72 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 39.2 p -135.19 161.35 35.6 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.263 0.554 . . . . 1.29 111.273 -177.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.571 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.6 OUTLIER -50.41 -31.0 13.73 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.016 -0.993 . . . . 1.29 110.443 178.059 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.626 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 17.1 m-85 -69.44 -35.31 75.54 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.901 -0.591 . . . . 2.01 111.316 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -69.73 -35.85 75.35 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.926 -0.768 . . . . 1.45 108.926 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.439 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 42.9 t -67.76 -43.71 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.158 -0.928 . . . . 1.22 110.283 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.404 ' HB3' ' CG2' ' B' ' 20' ' ' VAL . . . -58.21 -49.55 76.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.489 -0.778 . . . . 1.12 111.576 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -45.21 94.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.272 -0.877 . . . . 2.46 111.605 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -65.94 -50.62 63.75 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 111.822 0.305 . . . . 2.19 111.822 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.417 ' HB1' ' CG ' ' B' ' 37' ' ' LYS . . . -67.16 -31.39 71.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.535 -0.466 . . . . 1.26 111.568 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.8 43.55 4.14 Favored Glycine 0 C--N 1.321 -0.302 0 C-N-CA 120.244 -0.979 . . . . 1.09 112.614 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.2 m -134.24 169.08 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.104 -1.073 . . . . 1.25 108.104 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' B' ' 19' ' ' THR . 70.4 m -73.97 151.04 40.42 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 107.735 -1.209 . . . . 1.31 107.735 177.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -40.92 74.99 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 110.374 -0.232 . . . . 2.42 110.374 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -54.91 -38.6 67.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.524 0.678 . . . . 1.44 110.696 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' B' ' 16' ' ' SER . 27.5 m -55.59 -36.97 67.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.827 -1.078 . . . . 1.22 111.415 178.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.458 HG11 ' CG1' ' B' ' 38' ' ' VAL . 3.6 t -67.93 -48.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-N 115.721 -0.672 . . . . 1.78 110.215 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 72.4 m -51.97 -48.41 64.37 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.933 -1.136 . . . . 1.13 107.933 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -55.04 -38.12 67.57 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.826 -1.534 . . . . 3.37 112.978 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 55.1 t -76.34 -42.3 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.79 -0.448 . . . . 1.37 109.79 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.65 -37.86 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 115.734 -0.666 . . . . 1.33 111.818 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -90.43 -4.88 56.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.97 -0.559 . . . . 1.3 111.135 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 56.76 39.39 29.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.695 0.76 . . . . 4.39 109.831 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.66 168.82 19.06 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.496 -1.229 . . . . 2.82 110.94 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.21 176.4 9.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 1.96 111.667 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 25.2 m170 67.84 26.39 7.64 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.455 -0.793 . . . . 1.64 110.767 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.655 ' HB ' ' NH2' ' B' ' 35' ' ' ARG . 49.9 t -119.98 124.99 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 115.396 -0.82 . . . . 1.61 110.054 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.506 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 49.0 m -68.1 152.12 45.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.601 -0.272 . . . . 1.09 110.758 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -52.92 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 1.64 112.111 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -53.26 -55.18 26.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.962 -0.563 . . . . 3.67 110.122 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.62 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -53.43 -38.78 63.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.38 -0.827 . . . . 1.21 111.485 178.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.655 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 8.2 tpp180 -63.61 -55.67 21.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.199 0.523 . . . . 4.13 109.829 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.14 -37.12 79.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.135 -0.939 . . . . 1.96 111.877 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.417 ' CG ' ' HB1' ' B' ' 13' ' ' ALA . 4.6 ttmm -63.25 -36.68 84.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.405 . . . . 2.4 110.861 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.62 HG21 ' O ' ' B' ' 34' ' ' THR . 94.2 t -75.86 -39.63 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.294 -0.412 . . . . 1.22 110.992 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -68.12 -26.97 66.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.328 -0.396 . . . . 1.68 110.648 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.44 -48.97 36.85 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.43 -0.805 . . . . 1.3 110.171 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.24 -28.94 44.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.227 -0.897 . . . . 1.29 111.177 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.483 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 65.3 mtt -60.91 -22.4 64.31 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.255 -0.884 . . . . 1.2 109.97 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.58 -49.45 8.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.494 . . . . 1.34 111.008 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.6 -48.83 78.32 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.484 0.659 . . . . 1.58 110.995 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.713 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -73.18 -18.66 61.24 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.171 -0.922 . . . . 1.76 112.398 -178.713 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.23 41.31 2.56 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.623 -1.621 . . . . 1.3 106.623 -174.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.608 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.4 t80 -54.47 119.14 4.82 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.041 -0.982 . . . . 2.36 110.848 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.1 mt -134.23 100.16 13.01 Favored Pre-proline 0 N--CA 1.436 -1.168 0 N-CA-C 102.505 -3.146 . . . . 1.83 102.505 177.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.511 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.4 OUTLIER -29.76 125.77 0.06 OUTLIER 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 124.722 3.615 . . . . 0.79 116.014 -174.867 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.528 ' HB2' HG23 ' B' ' 5' ' ' THR . 40.6 t-20 -63.68 78.76 0.03 OUTLIER 'General case' 0 C--N 1.346 0.457 0 CA-C-N 114.737 -1.12 . . . . 0.85 109.599 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 11.0 mmm180 -48.72 -26.51 2.36 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.879 -1.055 . . . . 5.23 112.966 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 56.1 m -67.28 -63.41 1.06 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.981 0.42 . . . . 0.75 110.955 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.65 65.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.041 -0.527 . . . . 1.34 111.315 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.511 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 9.5 mt-30 -66.83 -27.04 67.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.858 -0.61 . . . . 1.04 111.751 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 1.5 mt-30 -91.22 -21.08 21.29 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.642 -0.873 . . . . 3.01 108.642 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 53' ' ' ALA . 1.7 tp -74.61 -48.82 24.31 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.877 -1.056 . . . . 1.26 109.918 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.92 5.2 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 1.29 111.477 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 149.98 -86.5 0.15 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.631 -0.795 . . . . 1.6 112.229 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? 171.84 118.66 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.721 0.296 . . . . 5.31 111.364 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -156.07 132.12 9.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.195 -0.457 . . . . 7.24 110.107 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 6.1 m -100.89 -71.11 0.72 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.256 -0.646 . . . . 6.58 109.256 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.602 0 N-CA-C 108.781 -0.822 . . . . 8.7 108.781 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . 0.526 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.501 -1.438 0 C3'-C2'-C1' 99.248 -2.465 . . . . 2.55 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . 0.526 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.076 0 C3'-C2'-C1' 99.716 -2.131 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.483 ' C8 ' ' H73' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 103.646 -2.231 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.483 ' H73' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C1'-C2' 103.912 -1.989 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.433 " H5'" " H1'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.503 -1.276 0 C3'-C2'-C1' 99.404 -2.354 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.43 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.954 0 C5'-C4'-C3' 117.307 1.738 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.43 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 C3'-C2'-C1' 99.663 -2.169 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . 0.427 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.027 0 C3'-C2'-C1' 99.493 -2.291 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . 0.427 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.026 0 C3'-C2'-C1' 99.354 -2.39 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . 0.452 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.514 -0.53 0 C3'-C2'-C1' 98.877 -2.731 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.452 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-C2' 103.923 -1.979 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.498 -1.616 0 C3'-C2'-C1' 98.629 -2.908 . . . . 0.89 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.72 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.495 -1.841 0 O4'-C1'-C2' 103.889 -2.01 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.571 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C5'-C4'-C3' 118.282 2.388 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.405 " H5'" " H1'" ' C' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.03 0 O4'-C1'-C2' 104.173 -1.752 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.969 0 C3'-C2'-C1' 100.173 -1.805 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.43 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.084 0 O4'-C1'-C2' 104.163 -1.761 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.43 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.914 0 O4'-C1'-C2' 104.059 -1.856 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.001 0 C3'-C2'-C1' 99.577 -2.23 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 O4'-C1'-C2' 104.08 -1.836 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.91 0 C3'-C2'-C1' 99.792 -2.077 . . . . 1.67 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.41 " C2'" ' H73' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.455 0.828 0 C3'-C2'-C1' 99.637 -2.188 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.41 ' H73' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 98.995 -2.647 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.189 0 C3'-C2'-C1' 100.944 -1.254 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.42 H2'' ' OP2' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-C2' 107.061 0.873 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.544 H2'' " C5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C4'-C3' 104.323 -1.277 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.544 " C5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C4'-C3' 104.721 -0.879 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.411 -0.729 0 C3'-C2'-C1' 105.55 2.036 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.448 ' C8 ' ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.736 0 C4'-C3'-C2' 104.296 1.096 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.448 ' H71' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 107.311 1.101 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.48 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 105.601 2.072 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.48 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 P--O3' 1.616 0.761 0 C3'-C2'-C1' 104.297 1.141 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.498 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.633 0 C5'-C4'-O4' 108.154 -0.779 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.498 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 C5'-C4'-O4' 108.178 -0.764 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.516 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 P--O3' 1.62 1.114 0 C3'-C2'-C1' 106.494 2.71 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.543 ' C5 ' ' C4 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 P--O3' 1.622 1.233 0 C3'-C2'-C1' 100.206 -1.781 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.575 " C5'" ' HB2' ' A' ' 53' ' ' ALA . . . . . . . . 0 P--O3' 1.619 1.019 0 C3'-C2'-C1' 105.296 1.855 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.57 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.412 -0.579 0 C3'-C2'-C1' 104.907 1.577 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.57 ' C6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 P--O3' 1.615 0.684 0 O4'-C1'-C2' 107.969 1.699 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.557 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 C4'-C3'-C2' 102.453 -0.747 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.557 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C4'-C3' 106.177 0.577 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.426 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-C2' 106.74 0.582 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.427 " C2'" ' H71' ' D' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.076 0 C4'-C3'-C2' 104.092 0.892 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.427 ' H71' " C2'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C5'-C4'-C3' 116.339 1.093 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.465 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.955 0 C3'-C2'-C1' 105.128 1.734 . . . . 1.82 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . 0.465 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.649 0 O4'-C1'-C2' 107.21 1.009 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 ptp . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.795 0.331 . . . . 7.3 110.831 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -131.27 112.82 15.66 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 116.301 -0.409 . . . . 6.26 110.871 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -68.41 115.21 3.76 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 121.525 1.483 . . . . 2.2 108.829 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.548 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 3.8 t -100.53 170.37 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 108.713 -0.847 . . . . 1.47 108.713 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.6 p -136.08 159.06 42.87 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.106 -1.072 . . . . 1.36 108.106 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.498 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -62.51 -15.85 52.6 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.177 0.513 . . . . 1.24 109.855 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -78.8 -36.74 42.26 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.736 -0.666 . . . . 0.82 110.59 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -63.51 -38.37 90.89 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.62 1.2 . . . . 1.86 107.785 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.522 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 22.6 t -66.7 -44.92 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.125 0 CA-C-N 112.72 -2.036 . . . . 1.31 109.873 178.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HB3' ' HA ' ' A' ' 17' ' ' TYR . . . -65.14 -35.68 81.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.281 -0.872 . . . . 1.25 111.538 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -71.13 -50.37 34.18 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.682 -0.69 . . . . 2.41 110.542 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.494 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 51.7 t80 -67.32 -23.01 65.59 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.535 -0.757 . . . . 2.57 111.472 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 9' ' ' VAL . . . -93.35 -23.04 18.6 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 121.693 -0.629 . . . . 1.32 110.024 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.04 36.72 24.05 Favored Glycine 0 CA--C 1.506 -0.47 0 N-CA-C 110.816 -0.914 . . . . 0.72 110.816 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.0 m -127.31 -174.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.773 -0.713 . . . . 1.26 110.041 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -89.14 158.49 17.91 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 107.796 -1.187 . . . . 1.03 107.796 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.498 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 27.1 p90 -61.78 -41.72 98.08 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.28 -0.968 . . . . 2.26 109.833 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.541 ' NE2' ' N6 ' ' D' ' 16' ' ' ' DA' . 2.1 mm-40 -60.89 -26.68 67.59 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.99 -0.284 . . . . 2.69 111.027 177.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.8 m -64.36 -42.69 96.07 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.659 0.742 . . . . 1.18 109.297 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.717 ' O ' HG21 ' A' ' 24' ' ' VAL . 68.4 t -60.64 -52.06 65.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.51 -1.223 . . . . 1.28 110.195 177.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.9 t -63.53 -26.88 68.91 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 120.913 0.387 . . . . 1.22 110.259 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -36.54 72.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.656 -0.868 . . . . 3.12 108.656 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 19' ' ' THR . 54.5 t -75.32 -40.86 43.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.519 0.676 . . . . 1.33 109.971 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.717 HG21 ' O ' ' A' ' 20' ' ' VAL . 40.3 t -68.04 -42.05 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.934 -1.03 . . . . 1.37 113.393 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -113.14 -1.71 14.31 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.747 1.758 . . . . 1.24 115.747 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -165.04 74.44 0.23 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.009 1.277 . . . . 5.01 112.979 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.86 -40.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.497 0.925 . . . . 3.09 113.497 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.555 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 1.2 m -67.78 148.93 50.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.791 -0.64 . . . . 2.08 110.18 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.555 ' HB2' ' O ' ' A' ' 28' ' ' SER . 28.5 m170 78.91 15.57 1.08 Allowed 'General case' 0 C--N 1.342 0.262 0 N-CA-C 107.993 -1.114 . . . . 2.33 107.993 -178.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 t -139.17 130.59 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 114.81 -1.086 . . . . 1.54 109.454 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.514 ' HG ' " H3'" ' C' ' 3' ' ' ' DT' . 47.9 m -65.77 141.9 58.16 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.966 -0.561 . . . . 1.42 109.707 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.634 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.39 -40.05 81.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.695 -0.684 . . . . 1.68 111.36 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -42.56 85.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.929 0.395 . . . . 3.58 111.386 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.448 ' OG1' ' HB2' ' A' ' 31' ' ' SER . 0.1 OUTLIER -76.34 -39.38 54.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.141 -0.481 . . . . 1.56 111.815 179.415 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -59.26 -47.86 83.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.235 0.54 . . . . 4.14 111.704 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.634 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 35.3 mt-10 -70.48 -17.57 62.97 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.814 -0.63 . . . . 1.72 111.616 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 5.4 ptpt -87.8 -26.24 22.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.261 0.553 . . . . 1.95 110.086 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.459 HG12 HG22 ' A' ' 20' ' ' VAL . 70.0 t -82.03 -44.35 19.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.67 -0.695 . . . . 1.27 109.475 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.428 ' HA ' ' HE1' ' A' ' 42' ' ' MET . 47.7 mt-10 -59.11 -34.18 71.73 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.814 -0.81 . . . . 1.7 108.814 179.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.08 -39.39 86.79 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.368 -1.287 . . . . 1.38 110.237 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.67 97.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 1.24 111.166 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.428 ' HE1' ' HA ' ' A' ' 39' ' ' GLU . 17.7 mtm -64.54 -22.06 66.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.171 -0.468 . . . . 1.29 111.84 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.7 -34.59 27.28 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.925 0.869 . . . . 1.33 109.564 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.494 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 44.2 mm-40 -68.37 -58.03 4.98 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 113.946 -1.479 . . . . 1.55 111.17 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -12.55 59.36 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 114.257 -1.338 . . . . 2.37 112.672 -177.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' HG21 ' A' ' 4' ' ' VAL . 9.2 m120 62.08 57.6 2.02 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.132 0.491 . . . . 2.34 109.938 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.548 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.1 t80 -73.45 126.76 30.94 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.565 -0.743 . . . . 2.17 111.491 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.7 mp -116.52 109.82 43.38 Favored Pre-proline 0 N--CA 1.446 -0.672 0 N-CA-C 108.703 -0.851 . . . . 1.99 108.703 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -53.89 123.38 13.31 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 123.067 2.512 . . . . 0.78 112.563 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.425 ' HB2' H5'' ' D' ' 13' ' ' ' DC' . 27.0 m-80 -73.98 103.85 4.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.488 0.661 . . . . 0.69 112.32 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -18.75 65.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.636 -0.711 . . . . 4.93 111.127 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.64 -45.36 30.2 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.497 -0.557 . . . . 0.7 109.497 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.5 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -70.66 -35.74 73.01 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.248 -0.649 . . . . 1.2 109.248 178.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -58.18 -51.94 67.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.919 -1.037 . . . . 1.82 110.505 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -64.29 -32.31 73.86 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.616 -0.434 . . . . 3.08 110.674 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD22 ' N3 ' ' C' ' 11' ' ' ' DG' . 7.2 tp -67.24 -49.09 65.76 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.178 -0.464 . . . . 1.24 110.914 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.71 -17.64 16.38 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.455 0.909 . . . . 1.23 113.455 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.12 89.31 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.453 -0.88 . . . . 1.86 112.497 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 55' ' ' GLN . 10.9 mttp -64.11 153.3 38.03 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 123.084 0.554 . . . . 6.73 110.805 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' A' ' 61' ' ' SER . 11.2 mm100 -84.97 87.0 7.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.259 -0.428 . . . . 7.37 110.382 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' A' ' 60' ' ' GLN . 68.0 m 75.2 -53.58 0.66 Allowed 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.007 0.817 . . . . 7.76 112.133 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 C--O 1.247 0.924 0 N-CA-C 108.734 -0.839 . . . . 9.67 108.734 -179.26 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ttt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.136 -0.32 . . . . 6.87 110.136 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -101.73 116.91 62.77 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.406 -0.59 . . . . 5.86 109.406 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.46 133.78 60.05 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.529 2.152 . . . . 2.12 111.895 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.593 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.2 t -74.28 160.49 5.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.12 0.486 . . . . 1.33 109.928 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.74 HG23 ' OP1' ' C' ' 12' ' ' ' DG' . 5.5 p -131.7 155.85 46.93 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 116.228 -0.442 . . . . 1.29 111.04 -177.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.779 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.7 OUTLIER -51.63 -29.35 17.35 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 111.892 0.33 . . . . 1.29 111.892 177.045 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.532 ' HE1' " H2'" ' C' ' 12' ' ' ' DG' . 31.6 m-85 -69.36 -36.8 77.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.834 -1.076 . . . . 2.01 111.105 -178.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.83 -39.32 90.72 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.393 0.616 . . . . 1.45 109.422 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.445 ' HA ' HD22 ' B' ' 45' ' ' LEU . 25.3 t -65.18 -46.19 91.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-N 115.013 -0.994 . . . . 1.22 110.891 -179.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.85 -53.82 50.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.036 -0.984 . . . . 1.12 111.026 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -58.61 -49.33 77.87 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.357 -1.292 . . . . 2.46 111.777 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.456 ' CB ' HD21 ' B' ' 45' ' ' LEU . 40.9 t80 -60.8 -50.3 74.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 2.19 111.738 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.31 -21.09 64.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.805 0.668 . . . . 1.26 112.805 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.44 42.1 19.05 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 111.222 -0.751 . . . . 1.09 111.222 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -129.72 171.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 N-CA-C 108.658 -0.868 . . . . 1.25 108.658 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 46.7 p -72.89 159.26 34.0 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.759 -1.2 . . . . 1.31 107.759 177.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.09 -15.17 62.95 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.895 -0.322 . . . . 2.42 110.391 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -82.62 -35.55 26.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.757 -1.201 . . . . 1.44 107.757 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.469 ' O ' HG22 ' B' ' 23' ' ' VAL . 70.1 m -52.87 -36.01 58.45 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 113.95 -1.477 . . . . 1.22 109.392 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.429 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 1.8 t -66.76 -52.25 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.468 -0.787 . . . . 1.78 109.428 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 60.3 m -53.85 -49.0 69.43 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 107.91 -1.144 . . . . 1.13 107.91 176.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -52.4 -38.54 59.22 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 113.663 -1.608 . . . . 3.37 113.236 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.469 HG22 ' O ' ' B' ' 19' ' ' THR . 65.9 t -78.55 -46.96 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 117.985 0.357 . . . . 1.37 110.628 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 72.2 t -56.78 -40.68 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 O-C-N 123.716 0.635 . . . . 1.33 110.878 -179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.428 HD22 ' P ' ' C' ' 14' ' ' ' DT' . 31.6 m-80 -86.67 -5.34 59.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 1.3 111.723 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 56.73 40.77 28.98 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.493 -0.558 . . . . 4.39 109.493 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.92 170.56 15.71 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 114.908 -1.042 . . . . 2.82 112.26 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.98 173.14 11.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.267 -0.879 . . . . 1.96 112.73 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 55.0 m170 63.86 50.3 2.64 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.134 -0.939 . . . . 1.64 109.977 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -139.49 129.48 30.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.245 -0.889 . . . . 1.61 110.293 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.492 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 32.6 m -74.45 152.6 39.43 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.99 -0.55 . . . . 1.09 109.739 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.08 -49.19 74.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.96 -0.564 . . . . 1.64 111.425 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -57.5 -55.62 32.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.027 -0.533 . . . . 3.67 112.147 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.492 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -52.65 -34.07 49.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.224 -0.444 . . . . 1.21 111.397 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 7.0 tpp180 -71.19 -46.18 61.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.274 -0.421 . . . . 4.13 110.313 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -65.93 -32.7 74.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 1.96 111.786 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -63.54 -49.14 74.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.872 -0.604 . . . . 2.4 110.836 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.539 ' O ' ' HG3' ' B' ' 42' ' ' MET . 61.1 t -64.29 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.596 -0.729 . . . . 1.22 111.589 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 47.9 mt-10 -60.39 -39.84 88.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.915 0.388 . . . . 1.68 110.701 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.54 -43.27 66.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.311 0.577 . . . . 1.3 110.749 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.75 -29.64 59.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.399 -0.818 . . . . 1.29 110.774 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.539 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 51.8 mtt -62.8 -22.07 66.35 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.571 -0.74 . . . . 1.2 110.937 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.59 -43.89 9.9 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.111 -0.495 . . . . 1.34 110.522 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.22 -55.39 35.34 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.555 -0.748 . . . . 1.58 111.229 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.545 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -74.54 -14.21 60.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.09 -0.959 . . . . 1.76 111.431 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.48 43.65 5.81 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.973 -1.121 . . . . 1.3 107.973 -175.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.593 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 t80 -57.44 122.88 13.66 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 114.622 -1.172 . . . . 2.36 111.22 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.464 HG23 HD13 ' B' ' 48' ' ' ILE . 80.7 mt -138.67 98.09 8.93 Favored Pre-proline 0 N--CA 1.437 -1.106 0 N-CA-C 103.434 -2.802 . . . . 1.83 103.434 177.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.54 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.2 OUTLIER -28.97 121.66 0.05 OUTLIER 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 125.101 3.867 . . . . 0.79 116.725 -175.443 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.465 HD21 " H5'" ' C' ' 12' ' ' ' DG' . 62.6 t-20 -56.55 87.6 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 113.956 -1.475 . . . . 0.85 110.188 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 17.6 mmt85 -51.04 -23.77 3.29 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.729 1.011 . . . . 5.23 113.729 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 69.8 m -77.71 -57.06 4.01 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 119.992 -0.683 . . . . 0.75 111.56 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.36 -35.69 71.23 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.141 0.496 . . . . 1.34 111.193 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.54 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 6.9 mt-30 -65.87 -29.56 70.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.746 -0.661 . . . . 1.04 112.422 -178.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -89.39 -21.5 23.03 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.043 -0.725 . . . . 3.01 109.043 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.451 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 2.6 tp -77.94 -42.36 33.28 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.085 -0.961 . . . . 1.26 108.919 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.23 3.08 3.08 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.699 0.629 . . . . 1.29 112.699 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.61 -70.37 0.21 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.155 -1.022 . . . . 1.6 113.989 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm 60.27 -87.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.307 0.643 . . . . 5.31 111.078 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -136.53 26.22 3.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.775 -0.648 . . . . 7.24 109.682 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -101.66 -17.04 16.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.361 -0.381 . . . . 6.58 111.655 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 12.2 tp . . . . . 0 C--O 1.25 1.11 0 CA-C-O 117.813 -1.089 . . . . 8.7 109.363 -179.8 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.5 -1.521 0 C3'-C2'-C1' 98.994 -2.647 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . 0.519 ' C2 ' ' C6 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.09 0 C3'-C2'-C1' 99.538 -2.259 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.519 ' C6 ' ' C2 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-C2' 103.782 -2.107 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.514 " H3'" ' HG ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.424 -1.011 0 O4'-C1'-C2' 104.015 -1.896 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.589 ' C2 ' ' N7 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 99.435 -2.332 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.642 " C2'" ' H71' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.063 0 C3'-C2'-C1' 100.093 -1.862 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.642 ' H71' " C2'" ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.76 0 C3'-C2'-C1' 99.737 -2.116 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . 0.417 ' C4 ' ' C5 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.028 0 C3'-C2'-C1' 98.9 -2.714 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . 0.417 ' C5 ' ' C4 ' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.785 0 C3'-C2'-C1' 99.457 -2.316 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . 0.457 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.596 -0.94 0 C3'-C2'-C1' 98.687 -2.866 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.457 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.916 0 O4'-C1'-C2' 104.028 -1.883 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.432 ' C5 ' ' C6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.502 -1.374 0 C3'-C2'-C1' 98.628 -2.908 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.74 ' OP1' HG23 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.578 -2.375 0 C3'-C2'-C1' 99.983 -1.941 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.779 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C3'-C2'-C1' 99.171 -2.521 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.428 ' P ' HD22 ' B' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 104.202 -1.725 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.054 0 C3'-C2'-C1' 100.206 -1.781 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.451 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.503 -1.285 0 O4'-C1'-C2' 104.034 -1.878 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.451 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.207 0 C3'-C2'-C1' 99.445 -2.325 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.256 0 C3'-C2'-C1' 99.747 -2.109 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.511 -0.699 0 O4'-C1'-C2' 103.875 -2.023 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.487 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.076 0 C3'-C2'-C1' 99.572 -2.234 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.608 ' C6 ' ' H73' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.947 0 C3'-C2'-C1' 99.144 -2.54 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.608 ' H73' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.159 0 C3'-C2'-C1' 99.219 -2.486 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.502 -1.357 0 C3'-C2'-C1' 100.808 -1.352 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C5'-C4'-C3' 116.987 1.525 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.448 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C5'-C4'-C3' 116.84 1.427 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.448 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-C2' 107.054 0.868 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.53 1.247 0 C3'-C2'-C1' 105.183 1.773 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.452 " H2'" ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.811 0 C4'-C3'-C2' 104.254 1.054 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.452 ' H72' " H2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 N19-C1'-C2' 112.851 -0.843 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.454 H2'' " O5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C5'-C4'-C3' 116.342 1.094 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.531 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.616 0.778 0 C3'-C2'-C1' 104.447 1.248 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.531 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C3'-C2'-C1' 104.014 0.939 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.67 H2'' ' C5 ' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C3'-C2'-C1' 105.149 1.749 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.67 ' C5 ' H2'' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.956 0 C5'-C4'-O4' 106.677 -1.702 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.557 ' C5 ' ' C4 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 C3'-C2'-C1' 100.92 -1.271 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.557 ' C4 ' ' C5 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 C3'-C2'-C1' 105.486 1.99 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.633 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 104.43 1.236 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.633 ' C6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.93 0 C3'-C2'-C1' 105.418 1.941 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.541 ' N6 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 102.496 -0.704 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.521 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.83 0 C5'-C4'-O4' 108.276 -0.703 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.582 ' C2 ' ' C4 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 N19-C1'-C2' 112.804 -0.872 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.582 ' C4 ' ' C2 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.971 0 O4'-C1'-C2' 105.435 -0.604 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.42 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 C1'-O4'-C4' 110.516 0.583 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.407 -0.971 0 C4'-C3'-C2' 104.68 1.48 . . . . 1.82 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 107.291 1.083 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttt . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.828 0.347 . . . . 7.3 110.421 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -101.32 114.68 65.7 Favored Pre-proline 0 N--CA 1.443 -0.787 0 N-CA-C 109.093 -0.706 . . . . 6.26 109.093 179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -60.03 152.23 66.55 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.154 1.903 . . . . 2.2 111.336 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.536 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 18.0 t -101.58 171.72 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 107.629 -1.249 . . . . 1.47 107.629 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.479 ' O ' HG22 ' A' ' 9' ' ' VAL . 7.1 p -134.18 162.13 32.99 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 109.158 -0.682 . . . . 1.36 109.158 -178.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -63.74 -16.47 61.23 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.47 -0.567 . . . . 1.24 109.47 177.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -79.31 -39.33 33.12 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.077 -0.51 . . . . 0.82 110.086 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.65 -37.55 84.45 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 107.998 -1.112 . . . . 1.86 107.998 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 5' ' ' THR . 29.6 t -67.02 -49.04 77.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-N 112.753 -2.021 . . . . 1.31 109.437 178.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.66 92.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.388 -0.824 . . . . 1.25 110.781 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.53 -50.42 67.39 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.523 -0.762 . . . . 2.41 111.167 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.602 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 57.8 t80 -67.67 -24.02 65.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.89 0.376 . . . . 2.57 111.509 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.72 -18.88 24.25 Favored 'General case' 0 N--CA 1.434 -1.232 0 C-N-CA 120.615 -0.434 . . . . 1.32 110.35 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.38 38.82 27.95 Favored Glycine 0 N--CA 1.439 -1.101 0 N-CA-C 110.344 -1.102 . . . . 0.72 110.344 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.43 -175.06 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 115.022 -0.589 . . . . 1.26 109.752 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.2 m -93.82 151.49 19.56 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.468 -0.938 . . . . 1.03 108.468 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.507 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 22.3 p90 -53.33 -39.75 64.32 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.16 0.505 . . . . 2.26 110.744 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.595 ' HG2' ' N4 ' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -62.0 -28.54 69.64 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.484 -0.78 . . . . 2.69 111.091 177.516 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -69.59 -43.43 72.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.707 0.765 . . . . 1.18 109.112 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.554 ' O ' HG21 ' A' ' 24' ' ' VAL . 78.0 t -59.76 -53.44 48.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 114.79 -1.095 . . . . 1.28 111.161 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 t -64.89 -23.94 67.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.163 -0.471 . . . . 1.22 110.703 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 11.5 ttp180 -72.83 -30.29 63.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.927 -0.768 . . . . 3.12 108.927 178.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.4 t -80.72 -42.45 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 CA-C-N 115.305 -0.861 . . . . 1.33 110.364 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.554 HG21 ' O ' ' A' ' 20' ' ' VAL . 23.5 t -67.05 -52.16 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.418 -0.81 . . . . 1.37 112.623 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.459 HD22 ' P ' ' D' ' 14' ' ' ' DT' . 60.8 m-20 -75.75 -37.5 59.27 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 113.291 0.849 . . . . 1.24 113.291 -178.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.669 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 54.4 mm-40 -131.68 -114.15 0.23 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.531 -0.468 . . . . 5.01 111.663 -174.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.669 ' HB1' ' O ' ' A' ' 26' ' ' GLN . . . 158.25 -32.92 0.0 OUTLIER 'General case' 0 C--N 1.346 0.441 0 O-C-N 124.379 1.049 . . . . 3.09 110.866 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.87 151.59 46.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.971 -0.559 . . . . 2.08 109.536 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.6 m170 69.13 21.89 7.06 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 109.33 -0.619 . . . . 2.33 109.33 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.411 HG21 ' HE ' ' A' ' 22' ' ' ARG . 34.0 t -137.6 130.81 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.248 -0.887 . . . . 1.54 109.408 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -81.11 152.61 27.73 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.425 0.631 . . . . 1.42 110.088 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.13 69.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.627 -0.715 . . . . 1.68 110.819 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -51.75 -46.54 64.11 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.561 -0.745 . . . . 3.58 111.388 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.538 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -81.25 -39.61 25.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.135 0.493 . . . . 1.56 111.807 -179.134 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -53.64 -57.4 10.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.2 0.524 . . . . 4.14 111.706 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -67.52 -19.01 65.25 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.5 -0.773 . . . . 1.72 111.958 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -87.01 -28.45 22.63 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.61 -0.436 . . . . 1.95 109.937 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.538 HG21 ' O ' ' A' ' 34' ' ' THR . 70.6 t -78.21 -43.2 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.66 -0.496 . . . . 1.27 109.66 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -60.73 -35.48 76.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.526 -0.761 . . . . 1.7 109.205 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.04 -37.42 81.32 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.237 -0.892 . . . . 1.38 110.826 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.32 87.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.862 -0.608 . . . . 1.24 110.796 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 18.7 mtt -66.06 -27.16 67.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 1.29 112.29 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.46 -32.64 42.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.971 0.891 . . . . 1.33 109.259 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.602 ' HG3' ' CE2' ' A' ' 12' ' ' TYR . 38.0 mm-40 -69.42 -59.64 2.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.119 -1.4 . . . . 1.55 112.058 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.15 -8.81 59.66 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.016 -1.447 . . . . 2.37 112.736 -177.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.485 ' O ' HD12 ' A' ' 48' ' ' ILE . 83.6 m-20 61.31 56.95 2.52 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.238 0.542 . . . . 2.34 110.082 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.536 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 13.8 t80 -72.38 123.61 23.4 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.05 -0.523 . . . . 2.17 110.618 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -112.63 116.2 48.31 Favored Pre-proline 0 N--CA 1.434 -1.268 0 N-CA-C 109.321 -0.622 . . . . 1.99 109.321 178.286 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.434 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 47.4 Cg_exo -57.02 116.77 3.44 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.364 2.709 . . . . 0.78 112.7 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -76.54 95.93 4.0 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.012 0.434 . . . . 0.69 110.585 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' A' ' 49' ' ' PRO . 5.2 mpt_? -58.23 -25.86 62.19 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.404 -0.816 . . . . 4.93 111.216 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -43.02 85.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.898 0.856 . . . . 0.7 109.603 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.535 ' HB3' " C5'" ' D' ' 13' ' ' ' DC' . . . -71.81 -37.85 70.3 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.781 -1.099 . . . . 1.2 109.308 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' OE1' ' HE3' ' A' ' 59' ' ' LYS . 9.0 tt0 -59.89 -40.15 87.75 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.027 0.829 . . . . 1.82 109.705 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -68.25 -39.52 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.297 -0.865 . . . . 3.08 109.394 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 tp -58.88 -51.81 68.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.231 0.539 . . . . 1.24 111.205 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.99 -13.38 61.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.363 -0.835 . . . . 1.23 112.123 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.76 117.12 3.18 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.908 -0.663 . . . . 1.86 111.544 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.521 ' HE2' ' HA ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -78.43 104.91 9.34 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.104 -0.638 . . . . 6.73 111.06 -179.011 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.42 HE21 " C3'" ' D' ' 14' ' ' ' DT' . 0.0 OUTLIER -84.8 179.54 7.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.853 -0.612 . . . . 7.37 109.56 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 m 63.29 52.19 2.49 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.772 0.67 . . . . 7.76 110.811 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 tp . . . . . 0 C--O 1.252 1.188 0 CA-C-N 116.136 -0.484 . . . . 9.67 110.227 179.225 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.2 ttp . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 120.947 0.403 . . . . 6.87 110.357 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -142.92 112.89 5.79 Favored Pre-proline 0 C--O 1.238 0.461 0 CA-C-O 121.164 0.506 . . . . 5.86 110.773 -178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -70.76 129.4 16.48 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.898 2.399 . . . . 2.12 110.887 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.667 HG22 ' O ' ' B' ' 45' ' ' LEU . 20.9 t -68.61 167.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 N-CA-C 108.632 -0.877 . . . . 1.33 108.632 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.697 HG22 ' OP1' ' C' ' 12' ' ' ' DG' . 24.3 p -130.84 155.96 45.84 Favored 'General case' 0 N--CA 1.432 -1.336 0 O-C-N 121.832 -0.542 . . . . 1.29 110.645 -176.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.655 HD22 ' CZ ' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -52.2 -28.96 20.3 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 123.554 0.534 . . . . 1.29 111.324 177.285 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.538 ' HE2' " H2'" ' C' ' 12' ' ' ' DG' . 43.4 m-85 -69.01 -37.77 78.88 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.504 -0.316 . . . . 2.01 110.889 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.476 ' O ' HD22 ' B' ' 45' ' ' LEU . 19.3 m-20 -64.19 -37.15 86.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.595 -0.52 . . . . 1.45 109.595 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.492 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 28.2 t -69.24 -46.37 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.707 -0.679 . . . . 1.22 109.591 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.28 -57.37 11.48 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.89 -1.05 . . . . 1.12 111.572 178.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -47.71 79.09 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.933 -1.03 . . . . 2.46 112.337 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -64.02 -50.48 68.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.514 -0.767 . . . . 2.19 112.489 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.527 ' HB2' ' HG3' ' B' ' 37' ' ' LYS . . . -65.76 -25.08 67.11 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.296 -0.411 . . . . 1.26 111.979 -178.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.48 43.69 10.15 Favored Glycine 0 N--CA 1.438 -1.19 0 C-N-CA 120.085 -1.055 . . . . 1.09 111.614 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.71 165.31 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 N-CA-C 107.912 -1.144 . . . . 1.25 107.912 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.472 ' OG ' " H2'" ' D' ' 5' ' ' ' DG' . 5.2 m -70.1 159.23 34.27 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.918 -1.142 . . . . 1.31 107.918 176.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.655 ' CZ ' HD22 ' B' ' 6' ' ' LEU . 37.9 t80 -58.62 -50.17 74.81 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-O 120.808 0.337 . . . . 2.42 111.325 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -50.65 -38.33 45.7 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.758 0.423 . . . . 1.44 110.745 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.615 ' O ' HG22 ' B' ' 23' ' ' VAL . 20.7 m -54.73 -41.63 70.62 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.401 1.063 . . . . 1.22 111.657 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.456 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 22.0 t -66.19 -52.05 52.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 115.089 -0.959 . . . . 1.78 110.171 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 52.8 m -54.15 -47.44 71.95 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 107.698 -1.223 . . . . 1.13 107.698 176.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.423 ' HD2' HG21 ' B' ' 30' ' ' VAL . 8.0 ttm180 -51.96 -37.89 54.58 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.411 -1.268 . . . . 3.37 112.094 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.615 HG22 ' O ' ' B' ' 19' ' ' THR . 87.2 t -76.7 -40.84 33.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.114 0.483 . . . . 1.37 110.832 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.68 -31.02 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.32 -0.855 . . . . 1.33 110.705 -178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.475 HD22 ' P ' ' C' ' 14' ' ' ' DT' . 13.9 m-80 -92.07 -1.08 57.4 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.426 -0.806 . . . . 1.3 109.885 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 51.05 42.05 28.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 123.874 0.734 . . . . 4.39 109.803 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.27 -178.43 6.6 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.243 -0.89 . . . . 2.82 111.225 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -91.17 178.04 6.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.485 -0.78 . . . . 1.96 112.191 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.439 ' HA ' ' OP2' ' D' ' 3' ' ' ' DT' . 94.3 m-70 62.67 45.87 5.71 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 114.566 -1.197 . . . . 1.64 110.594 -178.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.423 HG21 ' HD2' ' B' ' 22' ' ' ARG . 21.3 t -135.86 116.24 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.867 -0.606 . . . . 1.61 110.416 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.674 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 32.3 m -61.53 156.51 19.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 123.763 0.665 . . . . 1.09 110.172 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.58 68.76 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 122.418 -0.176 . . . . 1.64 111.311 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -55.7 -52.07 65.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 3.67 111.288 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.674 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -55.5 -39.04 69.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.805 -0.634 . . . . 1.21 111.382 179.179 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -70.58 -46.48 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.068 0.461 . . . . 4.13 110.627 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -67.93 -26.39 65.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.959 -0.564 . . . . 1.96 111.474 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.527 ' HG3' ' HB2' ' B' ' 13' ' ' ALA . 0.5 OUTLIER -68.26 -47.64 67.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.02 -0.536 . . . . 2.4 110.18 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.511 ' O ' ' HG3' ' B' ' 42' ' ' MET . 94.7 t -66.38 -38.79 82.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 115.248 -0.887 . . . . 1.22 111.0 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -65.71 -34.89 79.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.034 -0.53 . . . . 1.68 109.576 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.74 -44.1 64.68 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.583 0.706 . . . . 1.3 110.593 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' B' ' 45' ' ' LEU . . . -56.62 -29.52 62.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.06 -0.973 . . . . 1.29 110.985 178.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.511 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 44.6 mtt -64.12 -20.62 66.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.003 -0.544 . . . . 1.2 109.861 179.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.7 -52.84 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.397 -0.365 . . . . 1.34 110.857 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -36.89 79.35 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 122.249 1.023 . . . . 1.58 110.25 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.667 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -82.0 -17.9 45.25 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.567 -1.197 . . . . 1.76 112.255 178.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.54 43.44 5.85 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.969 -1.123 . . . . 1.3 107.969 -175.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.583 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.1 t80 -54.85 125.23 19.32 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.474 -1.239 . . . . 2.36 110.362 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.4 mm -140.64 98.85 7.03 Favored Pre-proline 0 N--CA 1.444 -0.751 0 N-CA-C 102.542 -3.133 . . . . 1.83 102.542 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.57 ' HB2' ' HB2' ' B' ' 62' ' ' LEU . 43.0 Cg_exo -34.51 131.33 0.18 Allowed 'Trans proline' 0 N--CA 1.479 0.655 0 C-N-CA 124.203 3.268 . . . . 0.79 115.495 -175.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -59.97 88.34 0.01 OUTLIER 'General case' 0 C--N 1.343 0.284 0 CA-C-N 114.585 -1.189 . . . . 0.85 110.338 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.491 ' HD2' ' NE2' ' B' ' 60' ' ' GLN . 21.3 tpt180 -47.69 -33.43 6.89 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.738 0.644 . . . . 5.23 112.738 -178.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.55 -60.95 1.96 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.614 -0.721 . . . . 0.75 111.901 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.87 -34.04 75.91 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.825 -0.625 . . . . 1.34 111.828 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -65.55 -31.86 73.14 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.61 0.596 . . . . 1.04 112.61 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.468 ' HG3' ' NE2' ' B' ' 60' ' ' GLN . 43.2 mt-30 -81.52 -24.54 36.57 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.658 -0.867 . . . . 3.01 108.658 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.474 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.5 tp -71.63 -48.46 47.75 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.075 -0.966 . . . . 1.26 111.084 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.7 -67.35 0.34 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 120.253 -0.579 . . . . 1.29 110.002 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 178.2 -48.86 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 118.192 -1.956 . . . . 1.6 112.046 174.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' B' ' 59' ' ' LYS . 0.0 OUTLIER -106.31 144.82 32.45 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.606 0.717 . . . . 5.31 112.099 179.602 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.491 ' NE2' ' HD2' ' B' ' 51' ' ' ARG . 7.2 tp-100 -104.85 135.97 45.23 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.594 -0.73 . . . . 7.24 110.459 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.9 -25.78 12.46 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.151 -0.685 . . . . 6.58 109.151 178.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.57 ' HB2' ' HB2' ' B' ' 49' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.245 0.853 0 CA-C-N 114.991 -1.004 . . . . 8.7 109.441 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . 0.434 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.289 0 C3'-C2'-C1' 99.3 -2.429 . . . . 2.55 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . 0.434 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.505 -1.12 0 C3'-C2'-C1' 99.737 -2.116 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.44 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.453 0.609 0 O4'-C1'-C2' 103.368 -2.484 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.544 ' C6 ' ' H71' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.421 -1.169 0 C3'-C2'-C1' 99.905 -1.997 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.544 ' H71' ' C6 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 P--O3' 1.596 -0.91 0 C3'-C2'-C1' 99.466 -2.31 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.539 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.178 0 C3'-C2'-C1' 100.205 -1.782 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.434 ' O4 ' ' HG3' ' A' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.511 -0.718 0 C3'-C2'-C1' 99.595 -2.218 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.781 0 C3'-C2'-C1' 99.059 -2.601 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.146 0 O4'-C1'-C2' 103.833 -2.061 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C3'-C2'-C1' 98.66 -2.886 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.759 0 C5'-C4'-C3' 117.804 2.069 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.499 -1.546 0 C3'-C2'-C1' 98.801 -2.785 . . . . 0.89 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.697 ' OP1' HG22 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.582 -2.075 0 O4'-C1'-C2' 104.127 -1.794 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.527 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 P--O3' 1.597 -0.843 0 C3'-C2'-C1' 99.949 -1.965 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.475 ' P ' HD22 ' B' ' 25' ' ' ASN . . . . . . . . 0 P--O3' 1.594 -1.048 0 C3'-C2'-C1' 100.17 -1.807 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.887 0 O4'-C1'-C2' 104.069 -1.846 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.508 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.865 0 C3'-C2'-C1' 99.598 -2.216 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.508 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.167 0 C5'-C4'-C3' 117.516 1.877 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.467 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.905 0 C3'-C2'-C1' 99.515 -2.275 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.404 ' C8 ' ' H71' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.797 0 O4'-C1'-C2' 103.832 -2.062 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.404 ' H71' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C3'-C2'-C1' 99.925 -1.982 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.402 H2'' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 C3'-C2'-C1' 99.762 -2.098 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.402 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C3'-C2'-C1' 99.697 -2.145 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.938 0 C3'-C2'-C1' 100.83 -1.335 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.662 0 O4'-C1'-C2' 107.174 0.977 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.52 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 107.768 1.516 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.52 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.662 0 C5'-C4'-C3' 116.275 1.05 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.56 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.527 0.911 0 C3'-C2'-C1' 105.092 1.708 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.589 ' C8 ' ' H73' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.893 0 C5'-C4'-C3' 116.996 1.53 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.589 ' H73' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 O4'-C1'-C2' 107.157 0.961 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.544 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.823 0 O4'-C1'-C2' 107.54 1.309 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.544 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.054 0 C5'-C4'-C3' 115.976 0.851 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.481 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.513 -0.56 0 C5'-C4'-O4' 108.406 -0.621 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.478 ' C6 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.44 0.688 0 C5'-C4'-O4' 107.283 -1.323 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.622 1.289 0 O4'-C1'-C2' 108.151 1.864 . . . . 1.55 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.546 ' C5 ' ' C4 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C3'-C2'-C1' 99.654 -2.175 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.546 ' C4 ' ' C5 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.077 0 C5'-C4'-C3' 116.303 1.069 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.459 ' P ' HD22 ' A' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 O4'-C4'-C3' 106.682 1.082 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.595 ' N4 ' ' HG2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C3'-C2'-C1' 104.974 1.624 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.486 " H5'" " H1'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C1'-O4'-C4' 110.729 0.735 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.479 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 1.009 0 C3'-C2'-C1' 103.853 0.824 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.475 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 C3'-C2'-C1' 104.392 1.208 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.475 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.847 0 O3'-P-O5' 102.458 -0.812 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.42 -1.266 0 O4'-C1'-C2' 107.113 0.921 . . . . 1.65 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.527 0.905 0 C3'-C2'-C1' 104.827 1.52 . . . . 1.82 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.53 0.673 0 O4'-C1'-C2' 107.158 0.962 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.267 -0.271 . . . . 7.3 110.267 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -87.97 115.43 63.06 Favored Pre-proline 0 N--CA 1.451 -0.413 0 CA-C-N 116.066 -0.516 . . . . 6.26 110.671 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.42 -172.17 1.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.132 1.888 . . . . 2.2 111.961 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 45' ' ' LEU . 67.4 t -129.94 131.55 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 107.248 -1.39 . . . . 1.47 107.248 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.604 HG21 ' OP1' ' D' ' 12' ' ' ' DG' . 4.0 p -83.49 161.76 21.15 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 112.262 0.467 . . . . 1.36 112.262 -178.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.539 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.4 pt? -65.41 -15.93 63.1 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.65 -0.705 . . . . 1.24 109.538 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -75.33 -42.56 54.1 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.705 -0.68 . . . . 0.82 109.443 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.12 -39.63 86.9 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.878 1.323 . . . . 1.86 107.538 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 5' ' ' THR . 32.5 t -65.22 -46.19 91.53 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 CA-C-N 112.462 -2.154 . . . . 1.31 109.538 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.6 96.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.715 -1.13 . . . . 1.25 111.647 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -63.26 -50.96 68.09 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.329 0.585 . . . . 2.41 111.086 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.589 ' CD2' HD22 ' A' ' 45' ' ' LEU . 25.8 t80 -65.96 -25.78 67.27 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.423 0.527 . . . . 2.57 112.423 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.93 -25.84 25.88 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.016 -0.735 . . . . 1.32 109.016 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.57 41.24 7.4 Favored Glycine 0 CA--C 1.501 -0.793 0 N-CA-C 109.975 -1.25 . . . . 0.72 109.975 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.9 m -141.31 -167.01 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 114.482 -0.859 . . . . 1.26 110.334 -178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -106.9 151.84 24.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 1.03 109.874 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.539 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 42.4 p90 -49.72 -44.39 48.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.86 -0.609 . . . . 2.26 111.022 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HG2' ' H41' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -63.81 -28.27 69.75 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 111.933 0.346 . . . . 2.69 111.933 176.639 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -68.12 -42.75 79.76 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 107.842 -1.17 . . . . 1.18 107.842 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.573 ' O ' HG21 ' A' ' 24' ' ' VAL . 87.9 t -58.86 -50.95 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 114.952 -1.022 . . . . 1.28 111.708 177.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.5 t -64.71 -25.2 67.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.32 0.581 . . . . 1.22 110.563 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 5.7 ttp180 -69.77 -29.62 67.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.703 -0.68 . . . . 3.12 109.326 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.2 t -86.0 -48.82 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 121.136 0.494 . . . . 1.33 110.844 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 20' ' ' VAL . 47.1 t -56.01 -47.06 80.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.616 -0.72 . . . . 1.37 112.762 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.524 ' C ' ' HG2' ' A' ' 26' ' ' GLN . 76.9 m-20 -97.01 -10.53 26.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 114.019 1.118 . . . . 1.24 114.019 -178.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.608 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 2.2 mm-40 -142.68 -117.55 0.1 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.862 0.755 . . . . 5.01 110.659 -177.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.608 ' HB1' ' O ' ' A' ' 26' ' ' GLN . . . 163.27 -37.65 0.0 OUTLIER 'General case' 0 C--O 1.234 0.255 0 O-C-N 124.464 1.103 . . . . 3.09 110.565 -177.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 7.1 m -74.5 157.4 35.6 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.01 -0.995 . . . . 2.08 110.702 -178.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.42 ' HB3' ' C7 ' ' C' ' 4' ' ' ' DT' . 57.5 m170 71.08 16.64 6.33 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.856 0.836 . . . . 2.33 109.67 -178.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -132.8 126.26 53.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 CA-C-N 114.913 -1.04 . . . . 1.54 108.325 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 p -61.78 152.25 31.92 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.754 -0.832 . . . . 1.42 108.754 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.88 -6.18 25.64 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.92 -0.582 . . . . 1.68 111.633 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 33' ' ' LYS . 11.6 ttpt -90.85 -45.25 8.9 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.216 -1.031 . . . . 3.58 108.216 -177.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.526 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.9 p -77.29 -24.61 50.95 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.676 -0.693 . . . . 1.56 112.416 -178.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -58.54 -54.86 42.27 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 120.086 -0.646 . . . . 4.14 110.585 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.68 -26.16 68.54 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 113.554 0.946 . . . . 1.72 113.554 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -85.96 -24.81 26.37 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 119.945 -0.702 . . . . 1.95 110.563 -178.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' A' ' 40' ' ' ALA . 58.6 t -75.79 -38.59 37.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 107.038 -1.467 . . . . 1.27 107.038 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -71.81 -2.71 18.67 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 113.922 -1.49 . . . . 1.7 108.485 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.538 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -96.57 -45.11 6.86 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.001 -1.481 . . . . 1.38 107.001 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.39 84.07 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 113.565 -1.652 . . . . 1.24 112.031 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.401 ' CE ' HG22 ' A' ' 24' ' ' VAL . 31.8 mtt -58.18 -30.9 66.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.372 -0.376 . . . . 1.29 111.787 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.88 -37.87 23.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.383 0.611 . . . . 1.33 109.747 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 32.3 mm-40 -62.07 -56.92 14.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.668 -1.151 . . . . 1.55 112.079 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.589 HD22 ' CD2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -88.11 -11.64 46.41 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.888 -1.505 . . . . 2.37 111.841 -177.852 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 66.81 69.26 0.41 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.158 -0.682 . . . . 2.34 109.158 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.9 t80 -82.54 125.17 30.83 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 123.592 0.757 . . . . 2.17 112.112 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 118.9 22.85 Favored Pre-proline 0 N--CA 1.454 -0.271 0 N-CA-C 108.737 -0.838 . . . . 1.99 108.737 176.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.3 129.12 32.46 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.385 2.056 . . . . 0.78 112.592 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -77.14 113.14 14.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.69 110.954 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 51' ' ' ARG . 29.4 mmt180 -63.32 -35.94 82.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.732 -0.667 . . . . 4.93 112.327 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -66.57 -44.6 81.85 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 122.278 -0.264 . . . . 0.7 110.47 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.522 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -57.73 -49.24 77.22 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.482 -0.562 . . . . 1.2 109.482 177.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -55.43 -41.79 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.046 -0.979 . . . . 1.82 110.336 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 96.6 mt-30 -74.09 -21.01 60.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.492 -0.776 . . . . 3.08 112.363 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -87.91 -46.32 9.5 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 109.211 -0.662 . . . . 1.24 109.211 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.62 -59.18 4.93 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.549 -1.205 . . . . 1.23 110.525 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -126.87 -81.0 0.35 Allowed Glycine 0 CA--C 1.505 -0.575 0 C-N-CA 117.154 -2.45 . . . . 1.86 115.3 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -73.38 102.5 3.76 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 111.967 0.358 . . . . 6.73 111.967 -176.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.427 ' HA ' ' O ' ' A' ' 55' ' ' GLN . 3.7 tt0 -81.26 138.29 35.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 7.37 111.59 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 m 64.23 20.42 12.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.187 -0.915 . . . . 7.76 112.046 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.67 -0.681 . . . . 9.67 109.869 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.804 0.335 . . . . 6.87 110.707 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.54 82.92 50.26 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.602 -0.726 . . . . 5.86 110.397 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.17 149.69 58.38 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.267 2.645 . . . . 2.12 112.406 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.609 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 69.3 t -138.28 161.72 31.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 C-N-CA 120.813 -0.355 . . . . 1.33 110.831 -178.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.641 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 43.1 p -132.36 159.35 39.46 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 119.2 -0.429 . . . . 1.29 110.93 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.741 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.4 OUTLIER -52.87 -27.15 17.18 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.48 0.487 . . . . 1.29 112.036 177.107 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.627 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 11.6 m-85 -71.34 -29.39 64.93 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.5 0.666 . . . . 2.01 111.374 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -76.93 -35.07 57.57 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.63 -0.714 . . . . 1.45 109.529 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.411 ' HA ' ' CD2' ' B' ' 45' ' ' LEU . 57.9 t -68.51 -43.58 83.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 115.21 -0.905 . . . . 1.22 110.694 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.13 74.96 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.656 -0.702 . . . . 1.12 111.022 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.32 -48.28 81.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.095 -0.957 . . . . 2.46 111.293 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -64.38 -53.93 40.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 113.172 0.805 . . . . 2.19 113.172 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.481 ' CB ' ' HG2' ' B' ' 37' ' ' LYS . . . -63.9 -27.45 69.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.373 0.606 . . . . 1.26 110.333 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.24 50.72 3.76 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.25 -0.74 . . . . 1.09 111.25 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 22.8 m -140.55 159.93 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 109.121 -0.696 . . . . 1.25 109.121 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.448 ' O ' ' HB ' ' B' ' 19' ' ' THR . 66.4 m -67.93 154.55 41.34 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.41 -0.589 . . . . 1.31 109.41 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -39.09 83.48 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.959 -0.386 . . . . 2.42 109.959 -178.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -56.34 -38.66 71.65 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 110.02 -0.363 . . . . 1.44 110.02 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' B' ' 16' ' ' SER . 94.0 m -55.13 -38.17 67.87 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.599 -0.728 . . . . 1.22 111.22 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.496 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 8.8 t -66.12 -47.85 83.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.875 -0.602 . . . . 1.78 109.85 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 12.7 t -52.02 -50.11 62.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.415 -1.328 . . . . 1.13 107.415 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' B' ' 22' ' ' ARG . 29.1 mtm180 -53.16 -39.99 63.97 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 114.768 -1.106 . . . . 3.37 112.192 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -75.8 -42.15 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 120.949 0.404 . . . . 1.37 110.66 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.51 -40.4 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.47 0.653 . . . . 1.33 110.692 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -81.99 -4.22 56.22 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.381 -0.827 . . . . 1.3 111.452 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.436 ' OE1' ' HD3' ' B' ' 35' ' ' ARG . 3.7 mm100 52.5 39.8 28.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.243 0.544 . . . . 4.39 109.818 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.37 174.1 11.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.951 -1.022 . . . . 2.82 111.437 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 15.1 m -84.23 173.42 11.02 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.317 -0.856 . . . . 1.96 110.944 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' B' ' 28' ' ' SER . 56.3 m170 71.92 30.18 2.29 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.371 0.668 . . . . 1.64 111.295 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.44 123.67 66.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.189 -0.46 . . . . 1.61 110.104 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.511 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 53.4 m -67.81 154.85 40.65 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 123.776 0.673 . . . . 1.09 109.567 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.02 -48.17 83.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.062 0.458 . . . . 1.64 111.385 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -59.45 -54.19 49.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.569 -0.741 . . . . 3.67 110.957 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.511 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.3 OUTLIER -55.5 -34.22 64.42 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.79 -0.641 . . . . 1.21 111.225 178.861 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.436 ' HD3' ' OE1' ' B' ' 26' ' ' GLN . 8.5 ttm180 -67.69 -56.33 9.72 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 120.873 0.368 . . . . 4.13 111.126 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -61.47 -28.97 69.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.933 -0.576 . . . . 1.96 111.082 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.481 ' HG2' ' CB ' ' B' ' 13' ' ' ALA . 18.7 ttmm -63.1 -40.26 97.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.319 -0.855 . . . . 2.4 110.746 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.586 ' O ' ' HG3' ' B' ' 42' ' ' MET . 93.5 t -75.82 -39.19 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 115.314 -0.857 . . . . 1.22 110.163 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.29 -38.28 90.56 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.552 -0.536 . . . . 1.68 109.552 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.26 -47.43 67.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.026 -0.534 . . . . 1.3 111.311 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.88 -28.71 24.33 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.952 -0.567 . . . . 1.29 111.429 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 44.5 mtt -64.11 -20.91 66.3 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.462 -0.79 . . . . 1.2 110.428 -178.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.68 -49.11 7.06 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 112.236 0.458 . . . . 1.34 112.236 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.3 -47.38 83.86 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.546 -0.752 . . . . 1.58 110.509 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.532 ' O ' HG22 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -72.91 -22.78 60.68 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.425 -1.261 . . . . 1.76 112.501 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . 0.406 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.2 OUTLIER 67.61 40.36 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.195 -1.409 . . . . 1.3 107.195 -175.266 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.609 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.8 t80 -49.72 116.92 1.98 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 114.851 -1.068 . . . . 2.36 111.181 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.406 HG12 ' O ' ' B' ' 46' ' ' ASN . 42.6 mm -130.81 99.03 18.72 Favored Pre-proline 0 N--CA 1.44 -0.966 0 N-CA-C 103.284 -2.858 . . . . 1.83 103.284 177.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.451 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 3.5 Cg_exo -30.45 127.08 0.07 OUTLIER 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 125.047 3.831 . . . . 0.79 116.513 -175.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -66.55 79.05 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.594 -1.185 . . . . 0.85 111.181 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 3.0 mmp_? -48.39 -31.22 5.88 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 114.05 1.13 . . . . 5.23 114.05 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 3.5 m -67.36 -57.91 5.74 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.598 0.713 . . . . 0.75 110.378 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.86 71.62 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.882 -0.599 . . . . 1.34 110.758 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.451 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 20.2 mt-30 -66.8 -21.67 66.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.84 -0.618 . . . . 1.04 111.946 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 1.8 mm-40 -92.84 -24.3 18.54 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 121.894 -0.504 . . . . 3.01 110.185 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.45 ' O ' " H1'" ' D' ' 11' ' ' ' DC' . 2.7 tp -79.07 -38.56 36.06 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.281 -1.007 . . . . 1.26 108.281 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.5 ' CB ' ' H21' ' C' ' 12' ' ' ' DG' . . . -82.61 0.83 41.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.433 -0.803 . . . . 1.29 111.664 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.36 -55.29 3.66 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-O 119.481 -0.622 . . . . 1.6 114.633 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 72.6 134.55 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.699 0.8 . . . . 5.31 110.189 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -104.51 168.86 8.81 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.014 0.435 . . . . 7.24 111.072 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 71.2 m -136.26 -40.34 0.66 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.888 0.851 . . . . 6.58 109.307 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 33.4 tp . . . . . 0 C--O 1.25 1.084 0 CA-C-N 114.752 -1.113 . . . . 8.7 108.417 179.767 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.498 -1.66 0 C3'-C2'-C1' 99.309 -2.422 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.089 0 C3'-C2'-C1' 99.569 -2.236 . . . . 2.25 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.496 ' C8 ' ' H73' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 O4'-C1'-C2' 103.814 -2.078 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.496 ' H73' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O4'-C1'-C2' 103.653 -2.224 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.48 ' H71' ' C6 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.789 0 C3'-C2'-C1' 99.746 -2.11 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.511 ' C2 ' ' C2 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.199 0 C3'-C2'-C1' 100.258 -1.744 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.462 ' H71' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C3'-C2'-C1' 99.823 -2.055 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 C3'-C2'-C1' 99.16 -2.529 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.274 0 O4'-C1'-C2' 103.705 -2.177 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . 0.456 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C3'-C2'-C1' 99.041 -2.614 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.456 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.797 0 O4'-C1'-C2' 103.982 -1.926 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.496 -1.754 0 C3'-C2'-C1' 99.285 -2.439 . . . . 0.89 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.641 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.496 -1.752 0 O4'-C1'-C2' 103.996 -1.913 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.741 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 C5'-C4'-C3' 118.101 2.267 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.46 " H5'" " H1'" ' C' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C3'-C2'-C1' 100.255 -1.746 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C1'-C2' 103.766 -2.122 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.497 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.206 0 O4'-C1'-C2' 104.182 -1.744 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.497 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.499 -1.537 0 C5'-C4'-C3' 117.679 1.986 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.961 0 C3'-C2'-C1' 99.895 -2.004 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.816 0 C3'-C2'-C1' 99.8 -2.071 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.436 ' C6 ' ' H73' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.594 -1.049 0 C3'-C2'-C1' 99.845 -2.039 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.436 ' H73' ' C6 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.23 0 C3'-C2'-C1' 99.69 -2.15 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.856 0 C3'-C2'-C1' 98.801 -2.785 . . . . 2.28 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.934 0 C3'-C2'-C1' 99.381 -2.37 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.306 0 C4'-C3'-C2' 101.83 -1.37 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.458 ' C8 ' ' H73' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 107.164 0.967 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.47 ' C6 ' ' H73' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C3'-C2'-C1' 104.157 1.041 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.661 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.088 0 C3'-C2'-C1' 105.801 2.215 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.661 " O5'" H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C4'-C3' 106.372 0.772 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.566 ' H71' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C3'-C2'-C1' 104.385 1.204 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.495 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C5'-C4'-C3' 116.122 0.948 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.466 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C3'-C2'-C1' 104.626 1.376 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.468 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C5'-C4'-O4' 108.259 -0.713 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.468 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.041 0 N19-C1'-C2' 115.892 1.058 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.45 " H1'" ' O ' ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C5'-C4'-O4' 108.285 -0.697 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.604 ' OP1' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.531 0.715 0 C4'-C3'-C2' 102.085 -1.115 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.522 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.055 0 C5'-C4'-C3' 117.162 1.641 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.46 " H1'" " H5'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.621 1.125 0 C4'-C3'-C2' 104.394 1.194 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.516 " H1'" " H5'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.058 0 O4'-C1'-C2' 107.525 1.295 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.516 " H5'" " H1'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C4'-C3'-C2' 102.226 -0.974 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.504 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C5'-C4'-O4' 108.443 -0.598 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.511 ' C2 ' ' C2 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 C5'-C4'-C3' 116.048 0.898 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.49 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.137 0 O4'-C1'-N19 108.443 0.803 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.442 " H5'" H2'' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.593 0 O4'-C4'-C3' 104.817 -0.783 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.431 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.406 -1.113 0 C3'-C2'-C1' 104.641 1.386 . . . . 1.82 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . 0.431 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C5'-C4'-C3' 116.244 1.03 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 ttt . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 121.166 0.507 . . . . 7.3 110.37 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.516 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 14.3 tppt? -113.64 -50.12 0.05 OUTLIER Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.275 -0.42 . . . . 6.26 110.89 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.516 ' HD3' ' HB3' ' A' ' 2' ' ' LYS . 66.5 Cg_endo -96.46 153.57 1.26 Allowed 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.14 1.893 . . . . 2.2 112.32 179.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.592 HG21 ' O ' ' A' ' 45' ' ' LEU . 75.6 t -127.2 131.42 70.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 107.614 -1.254 . . . . 1.47 107.614 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.442 ' O ' HG22 ' A' ' 9' ' ' VAL . 4.0 p -88.05 167.08 13.99 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 113.371 0.878 . . . . 1.36 113.371 -177.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.524 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.1 pt? -67.66 -16.93 64.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.541 -1.209 . . . . 1.24 108.908 178.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -76.3 -42.14 46.3 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.745 -0.661 . . . . 0.82 109.45 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.57 -42.45 96.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.574 -1.269 . . . . 1.86 107.574 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 5' ' ' THR . 37.4 t -62.7 -46.65 95.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 112.736 -2.029 . . . . 1.31 110.017 178.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.79 -41.43 86.68 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.028 -0.987 . . . . 1.25 110.12 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.22 -48.48 67.69 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.948 -0.569 . . . . 2.41 110.331 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.44 ' HH ' ' HB3' ' A' ' 44' ' ' GLU . 2.4 t80 -62.17 -27.66 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.539 -0.755 . . . . 2.57 110.899 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.7 -19.3 20.52 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 115.551 -0.75 . . . . 1.32 111.188 -177.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.63 38.06 21.61 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.924 -0.87 . . . . 0.72 110.924 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.429 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 35.9 m -132.81 -169.23 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.84 -0.68 . . . . 1.26 110.527 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.3 p -99.9 150.43 22.39 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.223 -1.029 . . . . 1.03 108.223 177.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.524 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 44.3 p90 -48.3 -39.17 20.91 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 123.651 0.594 . . . . 2.26 110.02 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.514 ' CD ' ' H41' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -64.91 -30.77 71.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.114 -0.494 . . . . 2.69 112.129 178.216 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.413 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 53.3 m -63.95 -41.38 97.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.477 0.656 . . . . 1.18 109.477 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.558 ' O ' HG23 ' A' ' 24' ' ' VAL . 62.0 t -58.9 -48.32 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 114.858 -1.065 . . . . 1.28 110.824 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -67.63 -25.27 65.66 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 121.09 0.471 . . . . 1.22 110.126 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.413 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -67.7 -37.03 81.73 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 109.216 -0.661 . . . . 3.12 109.216 179.324 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.3 t -81.47 -48.95 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 112.022 0.379 . . . . 1.33 112.022 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 20' ' ' VAL . 41.1 t -56.42 -44.38 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 115.912 -0.586 . . . . 1.37 111.22 -178.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.585 HD22 ' P ' ' D' ' 14' ' ' ' DT' . 84.0 m-20 -85.83 -37.04 19.63 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.326 0.862 . . . . 1.24 113.326 -178.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.425 ' HB2' ' H ' ' A' ' 27' ' ' ALA . 37.5 mt-30 -139.31 -92.7 0.18 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.737 1.014 . . . . 5.01 113.737 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 28' ' ' SER . . . 102.02 120.76 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.622 1.969 . . . . 3.09 108.931 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 23.4 p 159.57 -0.59 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.561 1.172 . . . . 2.08 109.982 -177.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.438 ' HA ' H2'' ' C' ' 2' ' ' ' DA' . 1.8 m-70 -131.9 15.66 4.75 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.504 -1.68 . . . . 2.33 106.641 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -138.29 126.36 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 114.048 -1.433 . . . . 1.54 108.703 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.44 ' HA ' ' OP1' ' C' ' 3' ' ' ' DT' . 12.7 p -63.26 146.66 52.95 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 123.76 0.663 . . . . 1.42 110.779 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.5 -37.83 70.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.672 . . . . 1.68 111.452 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -51.54 -45.36 62.97 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.042 -0.526 . . . . 3.58 111.301 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.679 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -89.51 -33.74 16.65 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.856 -0.611 . . . . 1.56 112.115 -179.139 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -56.76 -57.61 11.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.83 0.348 . . . . 4.14 111.767 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.99 -18.41 65.27 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.608 0.718 . . . . 1.72 110.06 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -83.55 -28.95 28.24 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.068 -0.969 . . . . 1.95 110.259 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.679 HG21 ' O ' ' A' ' 34' ' ' THR . 88.9 t -78.35 -40.99 25.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.267 0.556 . . . . 1.27 109.663 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.05 -32.94 71.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.277 -0.874 . . . . 1.7 109.054 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.43 -33.43 48.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.571 -1.195 . . . . 1.38 111.011 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.714 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -60.56 -42.13 95.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 1.24 109.688 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.6 mtt -57.71 -28.75 64.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.726 -1.125 . . . . 1.29 113.256 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.77 -30.26 29.05 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.643 0.735 . . . . 1.33 110.05 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 57.1 mm-40 -67.9 -58.98 3.66 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.269 -1.332 . . . . 1.55 112.503 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.714 HD22 ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -88.37 -4.54 58.64 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.483 -0.781 . . . . 2.37 111.839 -179.331 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.461 ' N ' HD21 ' A' ' 45' ' ' LEU . 28.1 m120 71.28 70.66 0.17 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.575 0.547 . . . . 2.34 111.721 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.513 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 17.8 t80 -84.79 127.97 34.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.689 -0.687 . . . . 2.17 111.632 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.12 106.16 36.4 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 115.958 -0.564 . . . . 1.99 109.72 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -54.69 120.92 8.89 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.889 2.392 . . . . 0.78 112.03 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -77.9 103.5 7.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.566 . . . . 0.69 110.639 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 23.0 mmt180 -66.26 -25.86 67.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.14 -0.482 . . . . 4.93 111.307 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.86 -37.94 82.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.801 -0.815 . . . . 0.7 108.801 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.517 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -76.76 -39.6 51.09 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.924 -1.035 . . . . 1.2 109.335 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -60.6 -34.52 74.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.903 -1.044 . . . . 1.82 109.917 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 51.9 mt-30 -75.89 -38.28 57.98 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.994 -0.372 . . . . 3.08 109.994 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.416 HD23 ' N3 ' ' C' ' 11' ' ' ' DG' . 7.4 tp -61.14 -53.76 52.97 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.738 -0.665 . . . . 1.24 112.144 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.19 -21.45 24.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.375 -0.375 . . . . 1.23 111.883 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.19 -17.19 73.77 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.854 -0.689 . . . . 1.86 113.642 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.526 ' HZ1' " C5'" ' C' ' 10' ' ' ' DC' . 24.9 tptt 64.21 45.02 4.14 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.693 0.759 . . . . 6.73 110.597 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -85.49 60.02 5.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.908 -1.042 . . . . 7.37 110.603 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.1 7.98 44.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.868 -0.605 . . . . 7.76 111.281 -179.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.6 mt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.927 -0.559 . . . . 9.67 110.571 -179.704 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.3 tpp . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.439 0.161 . . . . 6.87 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.406 ' HB2' ' CD ' ' B' ' 3' ' ' PRO . 79.7 mttt -71.47 -57.32 4.5 Favored Pre-proline 0 N--CA 1.462 0.166 0 N-CA-C 109.407 -0.59 . . . . 5.86 109.407 179.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.406 ' CD ' ' HB2' ' B' ' 2' ' ' LYS . 40.8 Cg_endo -69.59 114.49 3.69 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 121.529 1.486 . . . . 2.12 110.577 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.727 HG21 ' O ' ' B' ' 45' ' ' LEU . 74.4 t -95.78 160.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.699 -0.482 . . . . 1.33 109.699 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.588 HG23 ' OP1' ' C' ' 12' ' ' ' DG' . 14.0 p -134.34 159.85 39.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.741 -0.663 . . . . 1.29 109.959 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.479 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 3.8 tt -56.46 -26.25 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.174 0.511 . . . . 1.29 109.776 177.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.551 ' CE2' " H2'" ' C' ' 12' ' ' ' DG' . 56.4 m-85 -65.55 -39.74 92.05 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.133 -0.485 . . . . 2.01 110.668 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.7 -40.1 95.96 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.827 -0.805 . . . . 1.45 108.827 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.506 ' O ' ' HB2' ' B' ' 13' ' ' ALA . 38.4 t -62.99 -43.63 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 CA-C-N 114.386 -1.279 . . . . 1.22 109.507 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.58 -59.73 4.57 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.524 -0.762 . . . . 1.12 111.672 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -54.55 -51.84 63.96 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.649 -1.159 . . . . 2.46 112.136 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -62.1 -50.12 73.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.383 0.512 . . . . 2.19 112.383 -178.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' B' ' 9' ' ' VAL . . . -63.4 -21.65 66.41 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.806 -0.634 . . . . 1.26 111.36 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.48 48.57 7.96 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.437 -0.887 . . . . 1.09 111.091 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 22.8 m -139.12 169.17 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 108.579 -0.897 . . . . 1.25 108.579 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 51.4 p -81.52 164.54 21.9 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.307 -0.627 . . . . 1.31 109.307 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.513 ' OH ' ' N7 ' ' C' ' 13' ' ' ' DA' . 1.9 t80 -53.96 -54.34 40.27 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 123.725 0.81 . . . . 2.42 111.043 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.448 ' HG3' ' HG3' ' B' ' 22' ' ' ARG . 48.5 tp60 -54.74 -35.86 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.738 -0.665 . . . . 1.44 111.34 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -59.06 -42.74 91.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.459 0.647 . . . . 1.22 111.114 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.539 HG11 ' CG1' ' B' ' 38' ' ' VAL . 3.4 t -63.34 -48.37 87.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.162 -0.926 . . . . 1.78 110.226 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.5 m -62.6 -46.05 90.06 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.544 -0.91 . . . . 1.13 108.544 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.488 ' HB3' ' HB3' ' B' ' 27' ' ' ALA . 6.4 mtt-85 -50.66 -45.09 57.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.005 -1.452 . . . . 3.37 111.981 178.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.8 t -76.11 -25.74 17.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-O 121.433 0.635 . . . . 1.37 110.573 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -23.83 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 115.59 -0.732 . . . . 1.33 109.689 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -103.11 -91.01 0.36 Allowed 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 116.078 -0.51 . . . . 1.3 111.596 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -165.94 52.08 0.09 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.87 0.693 . . . . 4.39 112.87 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . . . -65.98 110.13 2.8 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.876 0.695 . . . . 2.82 112.876 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.5 m -72.51 -52.47 15.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.243 -0.89 . . . . 1.96 112.609 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -88.22 67.6 8.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.49 0.662 . . . . 1.64 111.791 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 37.7 t -143.58 141.72 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.542 -1.281 . . . . 1.61 107.542 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -66.5 151.22 47.68 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.852 -0.339 . . . . 1.09 110.119 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.15 98.01 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.075 -0.25 . . . . 1.64 111.318 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -52.79 -55.77 20.52 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.822 0.344 . . . . 3.67 111.471 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.526 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -57.8 -37.29 73.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.643 -0.708 . . . . 1.21 111.833 -178.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -66.82 -49.1 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.971 0.415 . . . . 4.13 110.801 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -64.85 -34.94 79.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.806 -0.634 . . . . 1.96 111.283 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.412 ' HG3' ' HB3' ' B' ' 13' ' ' ALA . 4.0 tppp? -63.11 -42.29 99.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.95 -0.568 . . . . 2.4 111.818 -178.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.552 ' O ' ' HG3' ' B' ' 42' ' ' MET . 62.1 t -65.69 -42.46 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.634 -0.257 . . . . 1.22 111.345 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.11 -30.93 70.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.905 0.383 . . . . 1.68 109.974 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.21 -46.17 35.64 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.125 -0.489 . . . . 1.3 110.935 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.02 -25.34 20.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.264 0.554 . . . . 1.29 111.418 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.552 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 62.2 mtt -64.83 -20.86 66.63 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.806 -0.633 . . . . 1.2 110.478 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.01 -51.43 5.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.626 -0.715 . . . . 1.34 110.838 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.69 -51.13 68.31 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.696 0.76 . . . . 1.58 111.297 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.727 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -73.69 -14.55 61.17 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.943 -1.026 . . . . 1.76 112.339 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.82 43.33 5.51 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 107.607 -1.257 . . . . 1.3 107.607 -175.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.575 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.9 t80 -58.65 127.42 32.1 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.256 -0.884 . . . . 2.36 110.891 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.437 HG22 HD11 ' B' ' 48' ' ' ILE . 74.2 mt -136.34 105.3 9.34 Favored Pre-proline 0 N--CA 1.438 -1.028 0 N-CA-C 104.515 -2.402 . . . . 1.83 104.515 177.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -34.81 127.79 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.903 3.069 . . . . 0.79 114.881 -176.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -63.05 90.54 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.03 -0.986 . . . . 0.85 109.599 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -51.89 -22.74 4.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.843 1.053 . . . . 5.23 113.843 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 19.6 m -82.15 -57.06 3.56 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.126 -0.63 . . . . 0.75 110.666 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.52 74.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.791 -0.64 . . . . 1.34 110.382 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -71.04 -26.51 63.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 1.04 110.385 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' B' ' 60' ' ' GLN . 4.6 tt0 -75.86 -21.73 56.92 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.105 -1.072 . . . . 3.01 108.105 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.02 -44.83 13.73 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.089 -1.414 . . . . 1.26 110.412 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 -2.94 18.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.199 0.444 . . . . 1.29 112.199 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.93 47.66 3.08 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.426 -0.892 . . . . 1.6 113.858 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -130.12 -48.07 1.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.268 0.556 . . . . 5.31 109.735 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' B' ' 55' ' ' GLN . 67.4 mt-30 69.64 -95.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.563 -1.199 . . . . 7.24 110.509 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.23 66.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.128 0.49 . . . . 6.58 110.48 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.29 -0.862 . . . . 8.7 109.46 179.368 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' -1' ' ' ' DG' . . . . . 0.53 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.5 -1.492 0 C3'-C2'-C1' 99.31 -2.421 . . . . 2.55 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' ' DA' . . . . . 0.53 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.001 0 C3'-C2'-C1' 99.547 -2.252 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . 0.697 ' N7 ' ' H73' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.59 0 C3'-C2'-C1' 98.87 -2.736 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ' DT' . . . . . 0.697 ' H73' ' N7 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.769 0 O4'-C1'-C2' 103.905 -1.996 . . . . 1.59 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . 0.604 ' H71' ' C5 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.085 0 C3'-C2'-C1' 99.858 -2.03 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.447 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.047 0 C3'-C2'-C1' 100.327 -1.695 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C3'-C2'-C1' 99.802 -2.07 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . 0.4 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.18 0 C3'-C2'-C1' 99.48 -2.3 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . 0.4 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.057 0 C3'-C2'-C1' 99.174 -2.519 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . 0.409 ' C6 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.672 0 C3'-C2'-C1' 98.755 -2.818 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.526 " C5'" ' HZ1' ' A' ' 59' ' ' LYS . . . . . . . . 0 C2'--C1' 1.513 -0.591 0 O4'-C1'-C2' 103.764 -2.123 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.466 ' C6 ' ' C6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.497 -1.725 0 C3'-C2'-C1' 99.067 -2.595 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.588 ' OP1' HG23 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.494 -1.894 0 C3'-C2'-C1' 99.812 -2.063 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.513 ' N7 ' ' OH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 P--O3' 1.596 -0.943 0 C3'-C2'-C1' 99.419 -2.344 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.456 " H5'" " H1'" ' C' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.511 -0.719 0 C3'-C2'-C1' 99.733 -2.119 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.96 0 C3'-C2'-C1' 100.155 -1.818 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.449 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.077 0 O4'-C1'-C2' 104.008 -1.902 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.449 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.03 0 C3'-C2'-C1' 99.976 -1.946 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.137 0 C3'-C2'-C1' 100.032 -1.906 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.883 0 O4'-C1'-C2' 103.985 -1.923 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.453 ' C6 ' ' H73' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.798 0 C3'-C2'-C1' 99.731 -2.121 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.453 ' H73' ' C6 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.97 0 C3'-C2'-C1' 99.551 -2.249 . . . . 1.95 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C3'-C2'-C1' 99.456 -2.317 . . . . 2.28 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' -1' ' ' ' DA' . . . . . 0.443 " H1'" " H5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.083 0 C3'-C2'-C1' 101.188 -1.08 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.471 H2'' ' OP2' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C4'-C3'-C2' 102.351 -0.849 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.529 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.329 1.117 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.529 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C1'-O4'-C4' 110.963 0.902 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.43 " C2'" " H5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 105.533 2.024 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.43 " H5'" " C2'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 C4'-C3'-C2' 104.103 0.903 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' ' DT' . . . . . 0.406 H2'' " H5'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 106.866 0.697 . . . . 1.26 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . 0.457 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 C3'-C2'-C1' 104.242 1.102 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' ' DA' . . . . . 0.48 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 C5'-C4'-C3' 115.968 0.845 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.48 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 C5'-C4'-C3' 115.96 0.84 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' ' DC' . . . . . 0.405 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.913 0 O4'-C1'-C2' 107.235 1.032 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.476 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C5'-C4'-O4' 107.293 -1.317 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.476 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.532 0 C3'-C2'-C1' 101.435 -0.904 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.517 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 C2'--C1' 1.508 -0.939 0 C4'-C3'-C2' 104.591 1.391 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.585 ' P ' HD22 ' A' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C5'-C4'-C3' 116.79 1.393 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.514 ' H41' ' CD ' ' A' ' 18' ' ' GLN . . . . . . . . 0 P--O3' 1.621 1.167 0 O4'-C1'-C2' 107.751 1.501 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.548 ' C2 ' ' C2 ' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C2'-C3'-O3' 112.337 0.643 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.548 ' C2 ' ' C2 ' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.615 0 C4'-C3'-C2' 102.364 -0.836 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . 0.528 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 107.352 1.139 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . 0.528 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C4'-C3'-C2' 102.663 -0.537 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . 0.445 ' C7 ' ' C8 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C1'-O4'-C4' 110.71 0.722 . . . . 1.65 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . 0.41 ' C6 ' H2'' ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 N19-C1'-C2' 115.741 0.963 . . . . 1.82 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C5'-C4'-C3' 115.857 0.772 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 N--CA 1.459 -0.524 0 N-CA-C 110.886 -0.467 . . . . 1.9 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.563 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 26.9 t -105.94 167.76 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 106.469 -1.678 . . . . 0.99 106.469 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.4 p -139.08 165.18 27.81 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 118.042 0.383 . . . . 0.72 110.074 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.537 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.3 pt? -61.64 -16.87 52.43 Favored 'General case' 0 C--N 1.313 -0.986 0 O-C-N 124.238 0.961 . . . . 0.66 109.602 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -79.14 -41.25 28.96 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.061 -0.518 . . . . 0.68 110.152 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.87 -39.01 90.42 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.162 -1.051 . . . . 1.86 108.162 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 5' ' ' THR . 36.4 t -63.34 -47.16 93.28 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 112.512 -2.131 . . . . 0.66 109.411 178.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.453 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -64.16 -38.7 91.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.408 -0.814 . . . . 0.65 112.131 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -68.93 -45.28 71.22 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.304 -0.407 . . . . 2.41 110.835 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.405 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 40.5 t80 -72.54 -25.87 61.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.39 . . . . 1.68 111.694 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.578 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -89.1 -16.74 30.77 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.218 -0.66 . . . . 0.71 109.218 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.52 41.16 66.72 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.565 -1.014 . . . . 0.68 110.565 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.578 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.1 m -131.16 -176.01 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 114.517 -0.841 . . . . 0.62 109.733 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -92.64 150.01 20.97 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 107.454 -1.313 . . . . 1.03 107.454 177.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.537 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.2 p90 -54.09 -39.46 66.38 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.772 -0.771 . . . . 1.38 110.611 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -54.71 -40.28 69.03 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.313 -0.403 . . . . 2.08 110.902 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.596 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 92.4 m -62.3 -41.34 98.44 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 116.149 -0.478 . . . . 0.61 109.824 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.708 ' HA ' HG11 ' A' ' 38' ' ' VAL . 55.4 t -59.47 -52.73 57.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.27 -0.877 . . . . 0.65 110.307 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 11.8 m -61.06 -31.01 70.68 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.457 -0.338 . . . . 1.22 111.48 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.596 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 15.2 mtm180 -67.63 -30.51 70.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.988 -0.745 . . . . 2.65 108.988 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.641 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 66.7 t -81.51 -42.16 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 114.938 -1.028 . . . . 0.92 109.547 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 20' ' ' VAL . 21.4 t -61.55 -45.35 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.492 0.663 . . . . 0.94 109.933 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 21' ' ' SER . 2.1 m-80 -65.87 -33.08 75.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.131 -0.94 . . . . 1.24 110.922 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.641 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 20.9 mt-30 63.3 51.35 2.7 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.762 -0.654 . . . . 4.46 111.703 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.53 -160.69 0.73 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.253 0.549 . . . . 2.66 111.918 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.16 176.02 9.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.566 -0.743 . . . . 2.08 110.573 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.6 m170 65.51 31.51 10.09 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.733 0.778 . . . . 1.63 109.671 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.501 ' CG2' ' HB3' ' A' ' 22' ' ' ARG . 76.4 t -137.83 124.88 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 114.883 -1.053 . . . . 1.05 109.21 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.4 p -85.47 146.43 26.95 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.459 -0.571 . . . . 1.29 109.459 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.34 -33.19 69.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.023 0.379 . . . . 1.09 112.023 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -57.66 -49.86 75.09 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.054 0.454 . . . . 3.08 111.458 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -69.55 -35.66 75.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.577 -0.283 . . . . 0.98 111.34 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HG2' HG13 ' A' ' 23' ' ' VAL . 16.5 ttp180 -55.59 -46.54 77.25 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.222 0.453 . . . . 3.63 112.222 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 39.9 mt-10 -74.19 -28.43 61.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 113.094 0.776 . . . . 1.72 113.094 -177.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -79.59 -27.33 41.13 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.188 -0.605 . . . . 1.44 110.291 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.708 HG11 ' HA ' ' A' ' 20' ' ' VAL . 80.8 t -82.26 -39.85 16.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.571 0.701 . . . . 0.68 109.47 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.61 -29.25 70.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.374 -0.83 . . . . 1.7 109.244 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -69.8 -40.42 75.97 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.817 -1.083 . . . . 0.78 110.771 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.73 -36.78 85.39 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.539 -0.755 . . . . 0.79 111.411 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 24.3 mtt -64.43 -24.97 67.81 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.012 -0.54 . . . . 0.87 111.945 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.3 -34.74 28.51 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.712 0.767 . . . . 0.93 109.72 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 69.7 mm-40 -67.37 -56.47 9.56 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.091 -1.413 . . . . 1.55 112.838 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.459 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -85.8 -9.7 56.65 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.186 -1.37 . . . . 1.79 112.159 -177.37 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.4 m120 66.12 61.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 123.675 0.609 . . . . 2.2 109.756 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.563 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.1 t80 -78.89 124.44 28.24 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.955 -0.566 . . . . 1.38 111.902 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 mp -111.77 111.95 53.79 Favored Pre-proline 0 N--CA 1.45 -0.471 0 CA-C-N 115.664 -0.698 . . . . 1.39 109.423 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.05 125.07 14.54 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.93 2.42 . . . . 0.78 112.604 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -76.71 101.73 5.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.807 -0.633 . . . . 0.69 111.112 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -62.51 -22.58 66.39 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.355 -0.384 . . . . 4.2 112.018 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.443 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -80.27 -29.94 38.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.258 0.551 . . . . 0.7 109.777 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.451 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -76.37 -40.46 50.98 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.095 -0.706 . . . . 0.53 109.095 177.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -61.35 -27.81 68.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.076 -0.965 . . . . 1.67 109.538 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -83.26 -30.7 27.43 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.473 -0.785 . . . . 2.66 110.235 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 tp -69.0 -43.69 74.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.61 110.199 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.67 -24.9 25.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.603 -0.726 . . . . 0.85 111.719 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 111.383 -0.687 . . . . 1.86 111.383 -179.73 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo . . . . . 0 CA--C 1.537 0.642 0 N-CA-C 111.032 -0.411 . . . . 1.75 111.032 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.696 HG21 ' O ' ' B' ' 45' ' ' LEU . 55.2 t -71.24 158.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.51 -0.313 . . . . 0.83 110.909 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.7 p -127.73 157.35 40.57 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.029 0.442 . . . . 0.68 110.159 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.454 ' HG ' ' CG2' ' B' ' 20' ' ' VAL . 0.9 OUTLIER -55.04 -27.55 45.45 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 121.276 -0.89 . . . . 0.66 111.428 177.578 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -66.19 -35.76 81.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.702 -0.681 . . . . 1.22 110.021 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -69.51 -35.39 75.46 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.34 0.591 . . . . 1.45 109.8 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.605 ' HA ' HD23 ' B' ' 45' ' ' LEU . 43.7 t -68.17 -43.3 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.938 -1.028 . . . . 0.55 111.008 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.503 ' HB2' HG11 ' B' ' 20' ' ' VAL . . . -60.87 -52.02 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.63 110.766 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -59.12 -49.06 79.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.214 -0.903 . . . . 2.46 111.834 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.566 ' CB ' HD21 ' B' ' 45' ' ' LEU . 29.5 t80 -60.02 -51.06 71.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.717 0.636 . . . . 1.39 112.717 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.919 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -68.01 -16.9 64.25 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 120.681 0.276 . . . . 0.69 111.031 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.14 46.26 8.35 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.942 -1.123 . . . . 1.09 112.44 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.8 m -133.41 170.44 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 109.054 -0.721 . . . . 0.62 109.054 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 62.7 p -70.82 158.98 35.42 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.296 -1.002 . . . . 1.31 108.296 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -14.11 62.09 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.911 0.386 . . . . 1.58 111.503 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -85.71 -33.56 21.47 Favored 'General case' 0 CA--C 1.516 -0.347 0 O-C-N 121.155 -0.966 . . . . 0.89 108.571 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.0 m -56.15 -44.63 79.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.376 -1.284 . . . . 0.64 111.203 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' B' ' 10' ' ' ALA . 7.7 p -61.8 -46.82 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.16 0 C-N-CA 120.956 -0.298 . . . . 1.17 110.633 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 43.1 m -61.26 -47.07 87.73 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 108.444 -0.947 . . . . 1.13 108.444 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' B' ' 22' ' ' ARG . 24.2 mtm-85 -50.96 -42.05 59.7 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.478 -1.237 . . . . 2.87 112.354 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.401 HG22 HG11 ' B' ' 30' ' ' VAL . 66.7 t -71.54 -36.19 59.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.283 0.564 . . . . 0.86 110.14 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.9 t -66.75 -30.35 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 CA-C-N 115.717 -0.674 . . . . 1.03 110.677 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -92.78 -1.46 56.78 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.418 -0.356 . . . . 1.25 110.947 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 55.39 42.77 29.76 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.292 0.567 . . . . 3.75 110.124 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.74 158.61 24.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.534 -0.757 . . . . 2.36 111.826 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -82.43 -17.51 45.11 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.388 0.613 . . . . 1.96 111.284 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -85.08 39.27 0.76 Allowed 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.552 -0.749 . . . . 1.34 109.767 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.401 HG11 HG22 ' B' ' 23' ' ' VAL . 6.6 t -135.56 130.05 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.287 0.565 . . . . 1.1 111.526 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.474 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 49.3 m -77.97 157.46 29.68 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.064 -0.971 . . . . 0.98 109.577 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.53 -54.56 42.48 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.107 0.48 . . . . 1.12 111.75 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -52.18 -55.49 20.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.449 -0.796 . . . . 3.25 110.524 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.474 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -53.4 -39.09 64.01 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.718 -0.674 . . . . 0.77 111.654 -179.486 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -68.31 -43.13 78.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.181 0.515 . . . . 3.59 111.074 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -71.04 -31.28 67.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.726 -0.67 . . . . 1.96 111.215 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.919 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 16.2 ttmm -64.67 -48.49 74.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.532 0.682 . . . . 1.91 110.557 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.577 ' O ' ' HG3' ' B' ' 42' ' ' MET . 96.5 t -69.83 -35.42 64.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.29 -0.868 . . . . 0.62 111.615 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -70.72 -31.12 67.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.865 0.364 . . . . 1.68 110.352 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.97 -45.97 54.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.02 -0.536 . . . . 0.77 110.006 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.23 -27.38 34.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.23 -0.895 . . . . 0.65 110.976 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.577 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 51.0 mtt -64.44 -19.87 65.81 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.001 -0.545 . . . . 0.71 111.586 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.39 -53.38 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.9 110.408 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.28 -50.47 72.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.13 -0.941 . . . . 1.58 110.381 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.696 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -69.45 -22.99 63.61 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.939 -1.028 . . . . 1.14 112.212 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.538 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.9 OUTLIER 62.89 43.28 6.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.107 -1.442 . . . . 1.24 107.107 -175.222 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.65 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.2 t80 -54.55 122.04 9.7 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.678 -1.146 . . . . 1.46 110.675 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 46' ' ' ASN . 13.6 mm -133.58 97.01 16.22 Favored Pre-proline 0 N--CA 1.435 -1.212 0 N-CA-C 104.02 -2.585 . . . . 1.34 104.02 178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.474 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 1.2 Cg_exo -30.52 129.55 0.06 OUTLIER 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 125.078 3.852 . . . . 0.72 115.789 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -67.68 86.38 0.21 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.452 -0.795 . . . . 0.85 111.206 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -24.93 0.86 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.814 1.042 . . . . 4.55 113.814 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.1 m -76.88 -57.49 3.82 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 121.761 -0.587 . . . . 0.73 111.348 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.19 -37.08 64.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.954 -0.566 . . . . 0.64 110.628 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.474 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 6.0 mt-30 -58.84 -39.43 81.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 1.04 112.054 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -67.6 -48.15 67.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.442 -1.318 . . . . 2.45 107.442 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.1 tp -53.64 -42.02 67.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.141 -0.936 . . . . 0.65 111.121 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.75 -5.16 57.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.584 -0.28 . . . . 1.07 111.369 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.505 0 C-N-CA 120.227 -0.987 . . . . 1.6 113.739 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo . . . . . 0 N--CA 1.457 -0.635 0 CA-C-O 121.202 0.418 . . . . 1.9 111.308 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.579 HG21 ' O ' ' A' ' 45' ' ' LEU . 59.0 t -112.53 123.19 67.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 109.247 -0.649 . . . . 0.99 109.247 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.7 p -91.34 166.7 12.77 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 113.433 0.901 . . . . 0.72 113.433 -177.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.8 -16.32 64.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.058 -1.428 . . . . 0.66 109.362 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -79.01 -38.76 35.84 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.386 -0.598 . . . . 0.68 109.386 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.7 -41.3 96.12 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 107.31 -1.367 . . . . 1.86 107.31 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 5' ' ' THR . 44.2 t -62.37 -46.09 97.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 112.549 -2.114 . . . . 0.66 109.634 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -62.98 -39.34 94.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.82 -0.627 . . . . 0.65 111.773 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -66.78 -49.09 67.02 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.635 -0.711 . . . . 2.41 110.394 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.502 ' HB3' HD11 ' A' ' 45' ' ' LEU . 39.1 t80 -68.67 -22.55 64.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 1.68 111.165 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -91.78 -16.99 26.03 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.643 -0.503 . . . . 0.71 109.643 -178.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.18 41.49 46.79 Favored Glycine 0 CA--C 1.5 -0.904 0 N-CA-C 110.319 -1.113 . . . . 0.68 110.319 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.476 HG22 ' HB3' ' A' ' 13' ' ' ALA . 34.0 m -137.69 -174.58 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 CA-C-N 114.582 -0.809 . . . . 0.62 109.003 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.1 m -89.53 171.33 9.78 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.72 -0.845 . . . . 1.03 108.72 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.404 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 49.3 p90 -74.71 -36.04 62.71 Favored 'General case' 0 C--N 1.311 -1.09 0 C-N-CA 119.198 -1.001 . . . . 1.38 109.459 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -67.83 -25.65 65.66 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.165 -0.925 . . . . 2.08 110.747 176.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -64.56 -46.25 83.59 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.624 -0.88 . . . . 0.61 108.624 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 24' ' ' VAL . 92.8 t -57.81 -50.83 76.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.041 -1.436 . . . . 0.65 110.997 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.3 t -63.59 -28.77 70.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.534 -0.757 . . . . 1.22 110.487 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -68.75 -31.84 71.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.726 -0.67 . . . . 2.65 109.285 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.6 t -82.72 -43.42 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.057 0.456 . . . . 0.92 110.536 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 20' ' ' VAL . 16.2 t -60.46 -50.07 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.563 -0.744 . . . . 0.94 111.403 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -76.91 -37.85 54.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.295 -0.866 . . . . 1.24 113.224 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 24.1 mt-30 -125.79 -104.77 0.34 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.921 -0.399 . . . . 4.46 109.921 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 151.44 -35.37 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 124.978 1.424 . . . . 2.66 109.804 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.58 160.6 29.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.741 -1.118 . . . . 2.08 110.927 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 68.3 19.59 8.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.768 -0.651 . . . . 1.63 110.653 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 t -131.79 126.31 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 115.592 -0.731 . . . . 1.05 109.613 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.4 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 56.5 m -59.73 136.73 58.09 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.346 -0.843 . . . . 1.29 109.745 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.465 ' HB1' ' OE2' ' A' ' 36' ' ' GLU . . . -54.31 -37.32 64.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.068 -0.515 . . . . 1.09 110.575 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -56.43 -43.8 79.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.659 -0.701 . . . . 3.08 111.136 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.517 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -86.12 -40.26 15.87 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.005 -0.543 . . . . 0.98 111.834 -178.412 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 17.4 ttm180 -55.07 -53.62 53.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.004 -0.544 . . . . 3.63 112.215 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.465 ' OE2' ' HB1' ' A' ' 32' ' ' ALA . 21.3 mt-10 -70.49 -17.86 62.97 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.471 -0.786 . . . . 1.72 110.459 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -84.45 -30.02 25.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.36 -0.607 . . . . 1.44 109.36 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.646 HG11 ' HA ' ' A' ' 20' ' ' VAL . 54.1 t -76.16 -43.47 37.67 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 109.461 -0.57 . . . . 0.68 109.461 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 44.7 mt-10 -60.55 -31.9 70.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.971 -1.013 . . . . 1.7 109.212 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.512 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -70.7 -36.14 73.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.717 -1.129 . . . . 0.78 110.331 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.86 -34.7 79.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.874 -0.603 . . . . 0.79 110.462 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.429 ' HE3' HG12 ' A' ' 38' ' ' VAL . 40.3 mtt -61.79 -26.3 68.01 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.742 -0.663 . . . . 0.87 111.727 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.67 -34.96 21.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.27 0.557 . . . . 0.93 110.136 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 22.6 mm-40 -65.33 -58.6 5.5 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.784 -1.098 . . . . 1.55 111.86 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.579 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -81.47 -10.63 59.45 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.495 -1.229 . . . . 1.79 112.032 -178.311 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.483 ' O ' HD12 ' A' ' 48' ' ' ILE . 22.8 m-80 67.76 64.93 0.38 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.515 0.674 . . . . 2.2 109.342 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.505 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 13.8 t80 -78.66 120.0 22.72 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.142 -0.936 . . . . 1.38 111.18 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 46' ' ' ASN . 2.5 mp -113.44 108.62 52.0 Favored Pre-proline 0 N--CA 1.44 -0.926 0 CA-C-N 115.227 -0.897 . . . . 1.39 108.675 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -55.9 116.29 3.06 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.553 2.168 . . . . 0.78 112.416 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -67.81 103.05 1.34 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 116.287 -0.415 . . . . 0.69 110.044 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.509 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 1.5 mpt_? -61.91 -31.08 71.35 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.237 -0.438 . . . . 4.2 111.558 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -35.46 71.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.635 -0.505 . . . . 0.7 109.635 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.19 -42.2 69.33 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.063 -0.717 . . . . 0.53 109.063 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -59.54 -39.56 84.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.404 -1.271 . . . . 1.67 109.248 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -69.48 -36.1 76.21 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.296 0.569 . . . . 2.66 109.812 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tp -64.48 -47.2 79.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.434 -0.803 . . . . 0.61 110.534 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.42 -18.07 55.49 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.711 -0.677 . . . . 0.85 111.698 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.594 0 C-N-CA 120.828 -0.701 . . . . 1.86 111.691 179.263 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 N--CA 1.461 -0.397 0 N-CA-C 110.473 -0.626 . . . . 1.75 110.473 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.622 HG21 ' O ' ' B' ' 45' ' ' LEU . 65.0 t -79.27 154.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.912 -0.403 . . . . 0.83 109.912 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.458 ' O ' HG23 ' B' ' 9' ' ' VAL . 16.7 p -134.87 164.08 28.38 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.786 -0.643 . . . . 0.68 111.436 -177.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.475 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 1.3 tt -59.9 -22.78 62.82 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.2 0.524 . . . . 0.66 111.368 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -72.47 -40.73 66.75 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.243 -0.889 . . . . 1.22 110.466 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -66.41 -36.43 82.81 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.703 -0.68 . . . . 1.45 109.638 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.563 ' HA ' HD23 ' B' ' 45' ' ' LEU . 53.6 t -65.23 -40.77 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 114.658 -1.156 . . . . 0.55 109.609 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.489 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -59.58 -53.4 58.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.546 -0.752 . . . . 0.63 110.889 178.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.72 -47.99 80.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.156 -0.929 . . . . 2.46 111.552 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.423 ' CB ' HD21 ' B' ' 45' ' ' LEU . 34.7 t80 -63.99 -49.76 71.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.09 -0.505 . . . . 1.39 111.851 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.78 -19.98 65.86 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.325 0.491 . . . . 0.69 112.325 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.72 50.44 5.62 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 110.668 -0.973 . . . . 1.09 110.668 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -145.26 168.95 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 N-CA-C 108.59 -0.893 . . . . 0.62 108.59 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.506 ' O ' ' HB ' ' B' ' 19' ' ' THR . 72.2 m -76.59 153.36 35.39 Favored 'General case' 0 N--CA 1.423 -1.79 0 N-CA-C 109.187 -0.672 . . . . 1.31 109.187 177.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.466 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -58.29 -43.11 87.9 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 121.281 -0.168 . . . . 1.58 110.686 -179.374 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -57.83 -34.45 69.7 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.231 0.538 . . . . 0.89 111.162 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' B' ' 16' ' ' SER . 97.4 m -57.31 -40.94 78.91 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.749 0.785 . . . . 0.64 110.722 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.501 HG13 ' CG1' ' B' ' 38' ' ' VAL . 3.7 t -65.01 -46.29 91.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 114.208 -1.36 . . . . 1.17 110.72 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -58.0 -49.19 77.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.088 0.947 . . . . 1.13 108.459 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -57.02 -38.11 72.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.304 -1.316 . . . . 2.87 111.824 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.633 HG13 ' HG3' ' B' ' 35' ' ' ARG . 24.7 t -75.49 -40.17 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-O 120.777 0.322 . . . . 0.86 110.624 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.29 -36.28 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.037 -0.528 . . . . 1.03 110.56 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -86.09 -5.84 59.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.22 -0.445 . . . . 1.25 111.198 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 54.15 44.29 29.38 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.424 0.631 . . . . 3.75 109.934 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.88 179.62 6.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.31 -0.859 . . . . 2.36 110.952 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 0.8 OUTLIER -79.36 167.8 20.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.739 . . . . 1.96 110.834 178.854 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 29' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' B' ' 28' ' ' SER . 62.5 m170 67.95 33.72 4.52 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.658 0.742 . . . . 1.34 110.002 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.47 110.17 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.582 -0.735 . . . . 1.1 110.872 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.543 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 64.4 m -61.43 151.85 31.43 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.805 -0.634 . . . . 0.98 109.815 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.13 -51.34 58.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 111.918 0.34 . . . . 1.12 111.918 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.675 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 56.2 mtmt -53.4 -57.97 8.76 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 123.496 0.497 . . . . 3.25 111.115 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -52.97 -34.93 58.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.865 -0.607 . . . . 0.77 111.553 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.633 ' HG3' HG13 ' B' ' 23' ' ' VAL . 11.3 ttm180 -65.27 -42.95 92.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.219 0.533 . . . . 3.59 110.329 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.03 -41.56 86.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.887 -1.051 . . . . 1.96 111.247 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.675 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 25.3 mtpp -60.39 -39.45 87.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.677 -0.692 . . . . 1.91 111.044 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 34' ' ' THR . 94.4 t -69.46 -39.92 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 115.758 -0.656 . . . . 0.62 110.991 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -71.78 -32.26 67.47 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.289 0.566 . . . . 1.68 109.777 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.0 76.85 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.605 -0.725 . . . . 0.77 109.585 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.29 -28.86 60.12 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.585 -0.734 . . . . 0.65 112.024 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 42.4 mtt -63.66 -20.72 65.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.466 -0.788 . . . . 0.71 109.776 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.17 -49.43 7.75 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.817 -0.629 . . . . 0.9 110.656 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -59.63 -42.02 91.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.75 0.786 . . . . 1.58 111.066 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.622 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -78.19 -19.25 54.26 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.786 -1.097 . . . . 1.14 111.293 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.25 43.32 4.9 Favored 'General case' 0 C--N 1.34 0.183 0 N-CA-C 107.052 -1.462 . . . . 1.24 107.052 -175.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.612 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 t80 -56.94 123.38 14.93 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.759 -1.109 . . . . 1.46 111.632 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mt -135.55 98.98 11.95 Favored Pre-proline 0 N--CA 1.435 -1.193 0 N-CA-C 104.001 -2.592 . . . . 1.34 104.001 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.623 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.7 OUTLIER -30.0 128.86 0.06 OUTLIER 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 125.19 3.927 . . . . 0.72 115.409 -176.357 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -63.65 87.35 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.387 -1.279 . . . . 0.85 111.325 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.606 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -47.38 -29.23 2.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.905 0.882 . . . . 4.55 112.739 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 66.9 m -75.42 -60.78 2.15 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 120.418 -0.513 . . . . 0.73 112.1 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.19 -34.57 63.79 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.774 -0.648 . . . . 0.64 112.135 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.623 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 11.0 mt-30 -66.5 -30.79 71.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.426 -0.352 . . . . 1.04 110.536 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.606 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 1.6 mm-40 -82.29 -20.41 37.54 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.083 -0.71 . . . . 2.45 109.083 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' B' ' 56' ' ' LEU . 1.7 tp -81.97 -46.47 13.96 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.301 -0.863 . . . . 0.65 109.943 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.16 -0.06 8.88 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.903 0.881 . . . . 1.07 112.772 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.539 0 C-N-CA 120.376 -0.916 . . . . 1.6 112.499 -179.701 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 C--O 1.236 0.399 0 CA-C-O 121.04 0.35 . . . . 1.9 112.911 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.57 HG12 ' H ' ' A' ' 5' ' ' THR . 16.8 t -112.98 175.03 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 N-CA-C 107.728 -1.212 . . . . 0.99 107.728 178.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.57 ' H ' HG12 ' A' ' 4' ' ' VAL . 25.4 p -131.98 159.15 39.57 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.753 -0.832 . . . . 0.72 108.753 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -63.35 -19.66 64.83 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 121.712 -0.617 . . . . 0.66 110.364 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -72.29 -42.41 65.54 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.925 -0.58 . . . . 0.68 109.451 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -57.84 -32.37 67.55 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 122.727 1.251 . . . . 1.86 108.564 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 5' ' ' THR . 42.1 t -75.63 -44.1 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 CA-C-N 113.272 -1.786 . . . . 0.66 109.336 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.488 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -63.93 -45.41 89.34 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.572 -0.74 . . . . 0.65 111.946 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.17 -54.73 40.73 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.469 0.652 . . . . 2.41 110.815 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -62.13 -28.55 69.71 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.638 -0.71 . . . . 1.68 112.389 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.635 ' O ' ' HD3' ' A' ' 37' ' ' LYS . . . -83.13 -27.5 30.08 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 121.788 -0.57 . . . . 0.71 111.474 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.23 34.31 7.19 Favored Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 109.725 -1.35 . . . . 0.68 109.725 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.2 m -137.97 -179.41 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-O 121.357 0.599 . . . . 0.62 111.221 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -90.24 147.6 23.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.268 -0.878 . . . . 1.03 108.963 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.488 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 34.2 p90 -49.96 -42.64 49.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.327 0.584 . . . . 1.38 111.023 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -60.39 -29.49 68.99 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.267 0.556 . . . . 2.08 111.037 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 m -66.03 -45.39 81.61 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.828 0.823 . . . . 0.61 109.669 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 24' ' ' VAL . 89.0 t -57.24 -44.94 84.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 114.043 -1.435 . . . . 0.65 110.444 177.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 47.0 t -67.32 -27.67 67.35 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.781 -0.645 . . . . 1.22 110.919 -178.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -73.73 -28.51 61.74 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.31 -0.556 . . . . 2.65 110.097 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.3 t -83.37 -43.97 18.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 120.865 0.364 . . . . 0.92 110.078 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 20' ' ' VAL . 55.4 t -64.5 -48.26 85.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.335 0.588 . . . . 0.94 110.832 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 21' ' ' SER . 35.8 m-20 -75.24 -38.94 60.34 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.024 0.75 . . . . 1.24 113.024 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.529 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -149.95 -109.88 0.07 Allowed 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.86 -0.525 . . . . 4.46 109.665 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 166.53 -21.85 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.4 0.619 . . . . 2.66 111.379 -178.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 0.4 OUTLIER -65.53 150.5 48.29 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.848 -0.615 . . . . 2.08 110.695 -178.816 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 28' ' ' SER . 4.1 m-70 70.0 23.18 5.5 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.707 0.765 . . . . 1.63 109.359 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' A' ' 27' ' ' ALA . 48.5 t -141.22 132.85 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-N 114.681 -1.145 . . . . 1.05 108.103 178.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.65 155.32 40.69 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.014 -1.106 . . . . 1.29 108.014 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.8 -7.81 47.9 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 113.234 0.827 . . . . 1.09 113.234 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -84.95 -43.91 13.6 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.453 -0.943 . . . . 3.08 108.453 -175.843 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -70.53 -22.59 62.6 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.714 -1.13 . . . . 0.98 112.3 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -62.05 2.15 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.22 -0.3 . . . . 3.63 111.455 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.14 -26.72 64.98 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.018 0.748 . . . . 1.72 113.018 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.635 ' HD3' ' O ' ' A' ' 13' ' ' ALA . 8.4 ptpt -77.36 -26.92 52.41 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.103 -1.039 . . . . 1.44 109.538 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.564 HG11 ' HA ' ' A' ' 20' ' ' VAL . 55.0 t -79.07 -37.51 19.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 114.803 -1.089 . . . . 0.68 108.177 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -78.89 -2.3 39.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.251 -1.018 . . . . 1.7 108.251 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.658 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -91.31 -50.29 5.9 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 106.385 -1.709 . . . . 0.78 106.385 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.25 82.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 113.657 -1.61 . . . . 0.79 113.479 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 1.7 ptp -76.0 -19.8 58.38 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.14 -0.624 . . . . 0.87 110.272 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.3 -17.77 31.7 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.182 -0.917 . . . . 0.93 110.737 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.658 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 56.5 mm-40 -91.64 -55.64 3.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 123.526 1.632 . . . . 1.55 110.147 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.26 -1.3 40.18 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 111.74 -2.482 . . . . 1.79 112.437 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.1 m120 56.85 59.44 3.5 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.6 0.714 . . . . 2.2 110.056 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.8 t80 -76.88 122.89 25.48 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.997 -1.001 . . . . 1.38 109.248 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.85 109.53 61.11 Favored Pre-proline 0 N--CA 1.444 -0.74 0 N-CA-C 108.592 -0.892 . . . . 1.39 108.592 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -46.95 123.27 7.15 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.044 2.496 . . . . 0.78 110.962 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.611 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 6.1 m-20 -74.23 113.9 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.506 0.669 . . . . 0.69 110.222 -178.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -79.14 -20.25 49.04 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.168 -0.924 . . . . 4.2 111.175 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.14 -56.18 4.68 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 110.4 -0.222 . . . . 0.7 110.4 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.588 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -58.81 -46.13 88.35 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.6 -0.519 . . . . 0.53 109.6 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.611 ' HB3' ' O ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -47.96 -39.36 19.14 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.753 -1.112 . . . . 1.67 111.049 177.035 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -82.32 -18.62 41.6 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.349 -0.387 . . . . 2.66 110.854 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 tp -76.17 -52.61 9.72 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 108.878 -0.786 . . . . 0.61 108.878 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.36 -56.04 24.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.842 -1.072 . . . . 0.85 111.203 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.586 0 C-N-CA 118.949 -1.596 . . . . 1.86 111.065 176.624 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.411 ' HA ' ' HB ' ' B' ' 48' ' ' ILE . 63.4 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 CA-C-O 120.755 0.231 . . . . 1.75 111.694 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.671 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 74.1 t -67.24 137.26 25.12 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 121.597 0.713 . . . . 0.83 109.738 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.851 HG22 ' HB2' ' B' ' 50' ' ' ASN . 66.7 p -124.56 160.22 28.88 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.748 -0.66 . . . . 0.68 110.562 -177.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.413 ' HG ' HG11 ' B' ' 20' ' ' VAL . 0.5 OUTLIER -50.61 -15.72 0.3 Allowed 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 113.626 0.973 . . . . 0.66 113.626 177.027 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -85.81 -20.36 29.3 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 120.497 -0.481 . . . . 1.22 109.797 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -39.9 15.47 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.529 -1.286 . . . . 1.45 107.529 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.539 ' HA ' HD23 ' B' ' 45' ' ' LEU . 8.6 t -61.62 -48.72 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.005 -0.998 . . . . 0.55 111.0 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.654 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.41 -64.35 0.89 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 122.059 0.933 . . . . 0.63 110.416 178.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -49.11 -34.08 13.24 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 113.432 -1.713 . . . . 2.46 112.906 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.453 ' CB ' HD21 ' B' ' 45' ' ' LEU . 27.1 t80 -78.09 -44.17 26.97 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 116.152 -0.476 . . . . 1.39 112.029 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -81.86 -22.17 37.11 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 112.648 0.61 . . . . 0.69 112.648 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.59 23.36 31.23 Favored Glycine 0 C--N 1.32 -0.312 0 C-N-CA 119.488 -1.339 . . . . 1.09 112.493 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.723 HG21 HG22 ' B' ' 38' ' ' VAL . 6.3 m -110.54 158.63 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 N-CA-C 109.015 -0.735 . . . . 0.62 109.015 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.609 ' O ' HG23 ' B' ' 20' ' ' VAL . 5.4 m -70.1 168.02 16.47 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 119.809 -0.756 . . . . 1.31 112.067 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -63.55 -45.18 91.68 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.081 -1.418 . . . . 1.58 110.249 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -69.4 -34.12 74.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.277 -0.268 . . . . 0.89 110.277 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.466 ' OG1' ' HB2' ' B' ' 16' ' ' SER . 6.3 m -57.01 -28.18 62.25 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.696 0.623 . . . . 0.64 111.996 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.654 HG21 ' HB2' ' B' ' 10' ' ' ALA . 7.4 t -82.57 -40.13 16.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.832 -0.622 . . . . 1.17 109.495 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 17.9 m -66.86 -31.73 72.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.682 -0.69 . . . . 1.13 111.29 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -78.6 -18.63 54.27 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.394 -0.816 . . . . 2.87 111.438 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.419 HG21 HG21 ' B' ' 38' ' ' VAL . 3.1 t -75.09 -37.58 40.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.274 -1.01 . . . . 0.86 108.274 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.8 -39.27 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 114.411 -1.268 . . . . 1.03 110.107 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -73.02 -9.33 58.61 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.998 -0.546 . . . . 1.25 112.081 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 60.07 31.35 20.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 123.462 0.705 . . . . 3.75 111.311 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.47 175.55 10.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.229 1.014 . . . . 2.36 111.796 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.61 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 53.8 m -100.7 178.92 4.57 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 113.436 -1.711 . . . . 1.96 107.925 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' HIS . . . . . 0.61 ' HB2' ' O ' ' B' ' 28' ' ' SER . 23.9 m170 89.37 -1.97 0.36 Allowed 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 123.332 0.653 . . . . 1.34 110.164 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.79 103.35 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 N-CA-C 108.161 -1.051 . . . . 1.1 108.161 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.19 166.03 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 115.254 1.576 . . . . 0.98 115.254 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -67.22 -37.43 83.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.324 -1.307 . . . . 1.12 111.461 -177.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 28.4 ttpt -55.09 -60.45 3.36 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.532 0.682 . . . . 3.25 110.304 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.417 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.1 OUTLIER -56.91 -23.25 43.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.138 -0.937 . . . . 0.77 112.089 178.837 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.09 -40.31 53.34 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.522 0.677 . . . . 3.59 109.529 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 20.7 mt-10 -69.13 -32.3 71.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.752 -1.113 . . . . 1.96 109.775 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' B' ' 33' ' ' LYS . 11.3 mmpt? -62.92 -37.53 87.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.598 -1.183 . . . . 1.91 109.572 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.723 HG22 HG21 ' B' ' 15' ' ' VAL . 93.7 t -75.36 -39.16 41.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.948 -0.569 . . . . 0.62 110.309 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' B' ' 42' ' ' MET . 41.6 mt-10 -62.83 -34.59 77.64 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.63 0.729 . . . . 1.68 110.037 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.6 81.18 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.872 -1.058 . . . . 0.77 109.698 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -59.83 -32.26 70.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.819 -1.082 . . . . 0.65 109.983 178.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 48.0 mtt -62.59 -21.94 66.0 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.09 -0.959 . . . . 0.71 108.991 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.31 -47.45 8.03 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.9 110.357 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -54.84 -55.03 34.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.259 1.028 . . . . 1.58 110.054 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.654 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.3 OUTLIER -76.26 -18.29 59.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.501 -1.227 . . . . 1.14 110.43 178.77 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 53.81 71.04 0.54 Allowed 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 106.253 -1.758 . . . . 1.24 106.253 -176.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.433 ' HD1' ' N ' ' B' ' 48' ' ' ILE . 0.1 OUTLIER -35.98 128.72 0.68 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 112.834 -1.984 . . . . 1.46 115.192 -176.06 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.671 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 mm -131.54 74.86 77.73 Favored Pre-proline 0 C--N 1.307 -1.25 0 CA-C-N 110.865 -2.879 . . . . 1.34 109.444 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' B' ' 51' ' ' ARG . 72.4 Cg_exo -37.54 125.15 0.6 Allowed 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 123.913 3.076 . . . . 0.72 111.995 -177.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.851 ' HB2' HG22 ' B' ' 5' ' ' THR . 34.8 t-20 -66.8 76.49 0.12 Allowed 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.404 -0.591 . . . . 0.85 109.404 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' B' ' 49' ' ' PRO . 13.4 mtt85 -43.7 -28.07 0.38 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.915 1.45 . . . . 4.55 114.915 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' B' ' 56' ' ' LEU . 71.1 m -71.26 -56.39 6.14 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.909 -0.404 . . . . 0.73 109.909 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.96 -34.44 59.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.24 0.543 . . . . 0.64 111.258 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -60.32 -35.6 75.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.036 -0.984 . . . . 1.04 112.276 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -92.49 -21.81 19.94 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.474 -0.935 . . . . 2.45 108.474 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -70.34 -43.58 69.95 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.436 -0.802 . . . . 0.65 110.479 178.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.67 -68.93 0.34 Allowed 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 106.847 -1.538 . . . . 1.07 106.847 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.406 0 C-N-CA 118.824 -1.655 . . . . 1.6 111.48 173.581 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 N--CA 1.457 -0.624 0 CA-C-O 121.106 0.377 . . . . 1.9 112.314 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.57 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 83.7 t -125.94 129.62 72.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.008 -1.108 . . . . 0.99 108.008 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.1 p -91.21 169.95 10.41 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 113.316 0.858 . . . . 0.72 113.316 -178.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -65.1 -18.38 65.25 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.041 -1.436 . . . . 0.66 109.363 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -78.24 -40.62 36.73 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.677 -0.692 . . . . 0.68 110.859 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.7 -41.2 97.28 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.699 1.238 . . . . 1.86 107.88 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 5' ' ' THR . 23.1 t -62.49 -44.26 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 112.649 -2.069 . . . . 0.66 110.799 178.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -34.04 76.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.185 -0.916 . . . . 0.65 111.223 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -70.08 -49.65 48.91 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.284 -0.416 . . . . 2.41 110.646 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -67.79 -25.23 65.49 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.253 0.549 . . . . 1.68 111.803 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB1' HG22 ' A' ' 38' ' ' VAL . . . -90.4 -17.78 26.63 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.668 -0.696 . . . . 0.71 109.974 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.65 44.31 40.18 Favored Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 110.519 -1.033 . . . . 0.68 110.519 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 13' ' ' ALA . 34.6 m -136.76 -166.87 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.804 -0.698 . . . . 0.62 110.268 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.6 p -99.71 170.78 8.33 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.623 -1.251 . . . . 1.03 107.623 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.413 ' HB2' ' CD1' ' A' ' 6' ' ' LEU . 35.5 p90 -73.42 -32.68 64.55 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 118.211 -1.396 . . . . 1.38 108.615 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -62.4 -33.36 74.61 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.667 -0.697 . . . . 2.08 110.189 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -62.47 -46.01 90.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.644 -0.873 . . . . 0.61 108.644 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 24' ' ' VAL . 55.9 t -59.55 -52.71 57.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.705 -1.134 . . . . 0.65 110.028 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.7 t -62.33 -25.68 68.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 1.22 111.635 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.42 ' HG2' HG22 ' A' ' 30' ' ' VAL . 23.2 tpp180 -73.05 -30.33 63.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.626 -0.509 . . . . 2.65 109.626 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.461 HG13 ' HG3' ' A' ' 35' ' ' ARG . 92.6 t -84.06 -44.26 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-O 121.465 0.65 . . . . 0.92 111.284 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 20' ' ' VAL . 24.9 t -62.67 -49.41 83.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.241 -0.89 . . . . 0.94 112.535 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -87.41 -18.5 29.83 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 113.46 0.911 . . . . 1.24 113.46 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 20.3 mt-30 -135.85 -106.36 0.21 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 119.158 -0.449 . . . . 4.46 110.855 -178.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 151.83 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.691 1.197 . . . . 2.66 109.842 -178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 46.6 t -77.91 160.91 27.95 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.452 -0.794 . . . . 2.08 110.599 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' A' ' 28' ' ' SER . 56.7 m170 72.21 21.9 3.75 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 123.895 0.747 . . . . 1.63 111.372 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.42 HG22 ' HG2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -139.26 137.14 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 109.053 -0.721 . . . . 1.05 109.053 178.551 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.616 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 63.8 m -64.13 132.88 51.76 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.995 -1.002 . . . . 1.29 109.742 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.94 -34.79 65.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.477 0.656 . . . . 1.09 109.979 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -59.38 -40.76 87.57 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.092 -0.958 . . . . 3.08 110.685 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.616 ' OG1' ' HB2' ' A' ' 31' ' ' SER . 0.0 OUTLIER -88.8 -41.54 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.583 0.586 . . . . 0.98 112.583 -179.41 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.531 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 45.7 ttp180 -50.11 -49.99 49.93 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.128 0.489 . . . . 3.63 111.58 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 39.0 mt-10 -71.51 -16.99 62.36 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.135 -0.939 . . . . 1.72 111.349 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -89.51 -28.75 19.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 1.44 110.279 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.531 HG22 ' HB1' ' A' ' 13' ' ' ALA . 89.7 t -78.42 -44.54 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 108.746 -0.835 . . . . 0.68 108.746 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 38.3 mt-10 -59.27 -29.9 67.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.867 -1.06 . . . . 1.7 108.498 178.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -73.14 -33.14 65.33 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.689 -1.141 . . . . 0.78 110.46 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.46 96.14 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.544 0.688 . . . . 0.79 109.504 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.425 ' HE3' HG12 ' A' ' 38' ' ' VAL . 44.7 mtt -58.03 -27.92 64.0 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 114.962 -1.017 . . . . 0.87 112.248 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.4 -26.4 26.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.296 0.569 . . . . 0.93 110.79 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 21.4 mm-40 -72.75 -56.71 4.86 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.086 -0.961 . . . . 1.55 110.801 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.543 ' O ' HG21 ' A' ' 4' ' ' VAL . 1.3 mt -80.8 -18.69 46.73 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 113.48 -1.691 . . . . 1.79 111.447 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.72 66.41 0.15 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.58 0.705 . . . . 2.2 110.132 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.57 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.1 t80 -81.04 118.4 22.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.254 -0.884 . . . . 1.38 111.19 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.7 110.36 64.11 Favored Pre-proline 0 N--CA 1.438 -1.075 0 N-CA-C 108.831 -0.803 . . . . 1.39 108.831 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -55.26 107.16 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.71 2.274 . . . . 0.78 110.663 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -67.71 100.4 0.91 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.373 0.606 . . . . 0.69 111.534 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -69.27 -19.64 63.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.435 -0.802 . . . . 4.2 110.818 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 1.3 m -74.09 -35.96 64.23 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.418 -0.956 . . . . 0.7 108.418 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.45 -39.27 67.91 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.119 -0.946 . . . . 0.53 110.095 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.62 -42.25 95.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.782 -0.644 . . . . 1.67 110.057 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 52' ' ' CYS . 2.9 pt20 -62.56 -30.13 71.09 Favored 'General case' 0 CA--C 1.522 -0.134 0 N-CA-C 108.971 -0.751 . . . . 2.66 108.971 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.25 -46.74 60.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.207 -0.906 . . . . 0.61 110.83 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.32 -13.71 60.13 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.016 -0.538 . . . . 0.85 112.307 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.978 0 N-CA-C 110.75 -0.94 . . . . 1.86 110.75 -179.112 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo . . . . . 0 N--CA 1.463 -0.314 0 CA-C-O 120.827 0.261 . . . . 1.75 111.801 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.696 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 90.4 t -119.94 139.53 46.95 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.912 0 CA-C-N 116.136 -0.484 . . . . 0.83 109.939 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.412 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 17.7 p -93.4 165.26 12.86 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 113.083 0.772 . . . . 0.68 113.083 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.598 ' HG ' HG11 ' B' ' 20' ' ' VAL . 2.4 tt -61.83 -22.03 65.14 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.153 -0.931 . . . . 0.66 109.971 176.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.464 ' CE1' ' CE1' ' B' ' 17' ' ' TYR . 37.5 m-85 -66.89 -41.18 87.61 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 115.841 -0.618 . . . . 1.22 110.214 178.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.428 ' HB2' ' CG1' ' B' ' 4' ' ' VAL . 20.2 m-20 -70.07 -31.24 68.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.237 -0.892 . . . . 1.45 110.103 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.608 ' HA ' HD23 ' B' ' 45' ' ' LEU . 51.5 t -67.1 -45.85 85.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.844 -0.616 . . . . 0.55 110.558 178.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.725 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -58.27 -54.7 44.01 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.062 -0.517 . . . . 0.63 111.817 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -61.84 -39.95 93.63 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.344 -0.844 . . . . 2.46 112.448 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.582 ' CB ' HD21 ' B' ' 45' ' ' LEU . 63.2 t80 -62.7 -38.48 90.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.481 0.658 . . . . 1.39 110.108 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.566 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -84.29 -21.59 30.99 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.326 -0.852 . . . . 0.69 111.126 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.74 -47.75 1.02 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.754 -0.938 . . . . 1.09 110.754 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -45.52 160.92 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 115.546 1.684 . . . . 0.62 115.546 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -78.09 167.81 20.85 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 113.718 -1.583 . . . . 1.31 110.243 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.464 ' CE1' ' CE1' ' B' ' 7' ' ' TYR . 26.3 t80 -57.61 -56.55 20.43 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.093 -0.958 . . . . 1.58 111.422 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -58.19 -25.22 61.32 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 112.861 0.689 . . . . 0.89 112.861 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -66.13 -39.33 89.8 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.892 0.853 . . . . 0.64 109.613 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.725 HG21 ' HB2' ' B' ' 10' ' ' ALA . 10.9 t -67.47 -51.49 51.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.64 -1.164 . . . . 1.17 109.81 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -53.59 -49.77 67.05 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.418 -0.956 . . . . 1.13 108.418 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -48.81 -39.88 27.07 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 114.107 -1.406 . . . . 2.87 112.572 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.449 HG13 ' HG3' ' B' ' 35' ' ' ARG . 25.5 t -72.19 -41.15 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.21 0.529 . . . . 0.86 110.895 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.14 -39.87 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 CA-C-N 115.423 -0.808 . . . . 1.03 111.557 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -81.26 -9.58 59.74 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.212 -0.449 . . . . 1.25 111.006 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 59.33 41.42 19.79 Favored 'General case' 0 N--CA 1.462 0.172 0 O-C-N 123.944 0.777 . . . . 3.75 109.893 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.18 171.63 13.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.031 -0.986 . . . . 2.36 111.355 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 9.3 p -84.86 170.93 12.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.973 -0.558 . . . . 1.96 110.438 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' B' ' 28' ' ' SER . 53.2 m170 72.0 40.43 0.73 Allowed 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.416 0.448 . . . . 1.34 111.951 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 13.5 t -132.4 124.54 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 N-CA-C 110.007 -0.368 . . . . 1.1 110.007 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.717 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 14.7 m -68.08 146.71 53.23 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 109.987 -0.375 . . . . 0.98 109.987 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.06 -51.86 65.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.417 0.525 . . . . 1.12 112.417 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -58.58 -48.31 81.37 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.065 0.394 . . . . 3.25 112.065 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.717 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -57.34 -36.47 71.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.053 -0.521 . . . . 0.77 111.19 179.632 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.449 ' HG3' HG13 ' B' ' 23' ' ' VAL . 49.7 ttt180 -68.8 -49.03 61.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.999 -0.546 . . . . 3.59 110.05 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.1 -36.02 74.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.081 -0.963 . . . . 1.96 111.159 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.566 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 19.6 ttmm -63.66 -38.45 91.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 1.91 111.268 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.621 ' O ' ' HG3' ' B' ' 42' ' ' MET . 96.2 t -73.42 -41.22 56.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.02 -0.536 . . . . 0.62 111.179 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -68.77 -28.25 66.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.847 0.356 . . . . 1.68 110.321 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.66 -44.69 23.18 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.248 -0.433 . . . . 0.77 110.42 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.444 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -53.9 -27.88 33.18 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.71 -0.677 . . . . 0.65 110.785 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.621 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 49.7 mtt -61.45 -21.88 64.55 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.212 -0.904 . . . . 0.71 110.9 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.18 -48.09 7.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.374 . . . . 0.9 111.702 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.59 -46.22 84.29 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 121.697 0.76 . . . . 1.58 110.729 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.618 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -75.4 -17.2 60.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.857 -1.065 . . . . 1.14 111.579 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 60.6 t30 63.08 43.34 6.58 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.014 -1.476 . . . . 1.24 107.014 -175.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.696 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.6 t80 -56.27 122.09 11.0 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 114.185 -1.37 . . . . 1.46 111.209 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -133.86 101.92 12.57 Favored Pre-proline 0 N--CA 1.431 -1.401 0 N-CA-C 103.893 -2.632 . . . . 1.34 103.893 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.586 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 4.8 Cg_exo -34.48 126.6 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 124.706 3.604 . . . . 0.72 115.355 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.565 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 2.0 m-20 -65.89 80.75 0.07 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.443 -0.799 . . . . 0.85 110.254 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 tpp85 -49.69 -30.3 8.97 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.017 1.118 . . . . 4.55 114.017 -177.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 85.4 m -68.22 -60.31 2.56 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.571 -0.452 . . . . 0.73 110.448 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.64 -36.28 75.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.959 0.409 . . . . 0.64 111.768 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.586 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 43.8 mt-30 -63.9 -32.92 74.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.182 -0.463 . . . . 1.04 111.488 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.12 -50.04 57.31 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.232 -1.025 . . . . 2.45 108.232 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.55 -42.8 64.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.152 -0.931 . . . . 0.65 110.729 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.38 -7.99 58.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.972 -0.558 . . . . 1.07 111.991 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.483 0 C-N-CA 121.072 -0.585 . . . . 1.6 113.522 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 N--CA 1.455 -0.774 0 N-CA-C 109.731 -0.911 . . . . 1.9 109.731 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.616 HG13 ' HB2' ' A' ' 8' ' ' ASP . 55.6 t -52.88 137.08 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.931 0 CA-C-N 114.685 -1.143 . . . . 0.99 110.519 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.8 p -98.63 170.51 8.75 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.782 -1.099 . . . . 0.72 113.282 -178.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.1 pt? -65.65 -16.93 64.21 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.971 -1.013 . . . . 0.66 110.193 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.447 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 72.7 m-85 -78.93 -38.87 36.18 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 109.799 -0.445 . . . . 0.68 109.799 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.616 ' HB2' HG13 ' A' ' 4' ' ' VAL . 73.5 m-20 -60.78 -41.67 96.01 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 122.528 1.156 . . . . 1.86 107.947 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 5' ' ' THR . 21.4 t -63.02 -47.8 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 CA-C-N 112.304 -2.226 . . . . 0.66 110.085 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.13 89.96 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.34 -0.845 . . . . 0.65 111.621 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 45.9 mt-10 -68.17 -43.9 77.16 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.996 -0.547 . . . . 2.41 111.231 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.406 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 69.3 t80 -75.71 -25.86 57.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.847 0.356 . . . . 1.68 111.303 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.612 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.27 -17.6 39.18 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 108.719 -0.845 . . . . 0.71 108.719 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.46 37.14 58.7 Favored Glycine 0 C--N 1.339 0.741 0 C-N-CA 120.401 -0.904 . . . . 0.68 111.191 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.612 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.3 m -130.07 -169.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.258 -0.971 . . . . 0.62 111.002 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 m -97.95 164.23 12.45 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 107.305 -1.368 . . . . 1.03 107.305 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.451 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 53.5 p90 -68.89 -28.92 67.12 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.84 -1.17 . . . . 1.38 107.84 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.88 -37.53 82.48 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.351 -1.295 . . . . 2.08 110.216 175.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.589 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 85.8 m -65.66 -46.14 80.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.172 0.51 . . . . 0.61 109.787 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 24' ' ' VAL . 76.5 t -56.1 -50.7 68.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 114.717 -1.129 . . . . 0.65 111.055 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.0 t -66.93 -30.11 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.095 -0.335 . . . . 1.22 110.095 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.589 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 6.2 mtm180 -64.44 -34.65 78.68 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.309 -0.405 . . . . 2.65 110.016 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.4 HG13 ' HG2' ' A' ' 35' ' ' ARG . 78.4 t -79.45 -47.02 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.92 111.254 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 20' ' ' VAL . 18.1 t -60.87 -47.67 92.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 112.993 0.738 . . . . 0.94 112.993 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -88.47 -25.68 22.48 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 114.139 1.163 . . . . 1.24 114.139 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 14.0 mm-40 -129.12 -101.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 118.497 0.589 . . . . 4.46 111.322 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 145.04 -46.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 125.196 1.56 . . . . 2.66 110.713 -177.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 2.0 m -62.9 150.71 41.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.273 -0.876 . . . . 2.08 111.27 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 28' ' ' SER . 54.1 m170 75.56 16.08 2.61 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.885 0.85 . . . . 1.63 109.995 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.0 t -133.18 122.89 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 114.62 -1.173 . . . . 1.05 107.892 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.6 p -67.56 146.8 53.54 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.516 -0.765 . . . . 1.29 109.215 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.78 -37.26 68.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.107 -0.497 . . . . 1.09 110.211 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -54.55 -43.02 71.64 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.172 -0.467 . . . . 3.08 111.643 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -84.28 -43.2 15.07 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.628 0.233 . . . . 0.98 111.628 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 35' ' ' ARG . 16.1 ttp180 -53.55 -49.88 66.72 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.253 0.549 . . . . 3.63 112.439 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 29.9 mt-10 -71.27 -23.05 61.9 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.973 -1.012 . . . . 1.72 110.702 -177.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -81.21 -30.97 34.12 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.693 -0.685 . . . . 1.44 110.21 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 34' ' ' THR . 96.8 t -78.26 -43.0 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 109.457 -0.572 . . . . 0.68 109.457 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.83 -30.11 67.42 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 122.266 1.031 . . . . 1.7 108.79 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -75.7 -37.91 59.07 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.501 -1.227 . . . . 0.78 111.23 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.18 86.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.502 0.668 . . . . 0.79 110.098 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 mtt -64.63 -24.32 67.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.158 -0.928 . . . . 0.87 111.128 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.47 -34.74 18.58 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.646 0.736 . . . . 0.93 110.298 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 78.8 mm-40 -62.45 -57.76 10.06 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 122.752 1.263 . . . . 1.55 111.309 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.473 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.6 OUTLIER -83.04 -15.0 52.77 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 112.96 -1.927 . . . . 1.79 112.304 -177.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 28.7 m-80 67.67 70.89 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.573 0.701 . . . . 2.2 109.796 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.556 ' HD1' ' O ' ' A' ' 4' ' ' VAL . 7.1 t80 -83.16 124.29 30.37 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.159 -0.928 . . . . 1.38 110.805 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.77 103.85 55.24 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.652 -0.499 . . . . 1.39 109.652 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.46 112.75 0.96 Allowed 'Trans proline' 0 N--CA 1.486 1.054 0 C-N-CA 123.383 2.722 . . . . 0.78 113.685 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -69.1 108.56 3.63 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.406 0.622 . . . . 0.69 111.122 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.597 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 2.1 mpt_? -70.69 -28.68 64.94 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.451 -0.795 . . . . 4.2 111.203 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.55 -25.51 60.43 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.678 -0.692 . . . . 0.7 110.222 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.77 -38.61 28.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.079 -0.964 . . . . 0.53 109.338 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -66.04 -31.19 71.94 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 114.945 -1.025 . . . . 1.67 108.7 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -73.57 -27.6 61.4 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.026 0.441 . . . . 2.66 109.921 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.43 -42.12 45.14 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.285 -0.416 . . . . 0.61 111.533 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.41 -9.1 58.67 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.085 0.402 . . . . 0.85 112.085 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.312 0 C-N-CA 120.715 -0.755 . . . . 1.86 111.594 179.685 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo . . . . . 0 N--CA 1.465 -0.169 0 N-CA-C 111.17 -0.358 . . . . 1.75 111.17 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.625 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 9.8 t -74.93 175.49 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.531 -0.759 . . . . 0.83 110.366 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.62 ' H ' HG12 ' B' ' 4' ' ' VAL . 27.1 p -131.37 152.18 50.85 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 109.704 -0.48 . . . . 0.68 109.704 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.604 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 0.7 OUTLIER -50.6 -29.51 11.06 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.035 0.921 . . . . 0.66 112.218 177.854 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -70.48 -41.02 73.26 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.294 -1.321 . . . . 1.22 111.777 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -64.28 -32.94 74.73 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 108.95 -0.759 . . . . 1.45 108.95 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.615 ' HA ' HD23 ' B' ' 45' ' ' LEU . 49.5 t -66.54 -44.11 90.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 115.654 -0.703 . . . . 0.55 110.098 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.552 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -58.34 -60.51 3.66 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 124.017 0.823 . . . . 0.63 111.269 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.38 -38.89 69.44 Favored 'General case' 0 N--CA 1.445 -0.707 0 O-C-N 123.414 0.446 . . . . 2.46 112.023 -178.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.608 ' CB ' HD21 ' B' ' 45' ' ' LEU . 67.7 t80 -62.1 -47.1 86.12 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.915 -0.402 . . . . 1.39 109.915 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.516 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -78.85 -18.19 54.39 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 112.767 0.654 . . . . 0.69 112.767 -177.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.76 -48.33 0.95 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.5 -1.04 . . . . 1.09 110.5 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.9 m -48.66 159.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 116.638 2.088 . . . . 0.62 116.638 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -71.35 165.24 24.15 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 114.023 -1.444 . . . . 1.31 108.525 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.445 ' HD1' ' CD2' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -68.72 -48.22 64.38 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 110.518 -0.179 . . . . 1.58 110.518 -178.101 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' B' ' 22' ' ' ARG . 24.3 tp60 -55.33 -14.76 2.0 Allowed 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.051 0.929 . . . . 0.89 110.852 176.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.2 m -80.09 -34.9 37.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.177 -0.92 . . . . 0.64 109.806 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.604 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 14.2 t -70.59 -46.36 70.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.714 -1.13 . . . . 1.17 109.514 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 27.5 m -53.62 -51.41 63.18 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.718 -1.216 . . . . 1.13 107.718 175.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 4.0 ttp180 -50.15 -39.29 42.96 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 112.771 -2.013 . . . . 2.87 112.959 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.51 HG11 ' HB ' ' B' ' 38' ' ' VAL . 47.2 t -81.21 -45.45 20.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 O-C-N 122.209 -0.307 . . . . 0.86 110.862 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.5 -46.88 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 122.696 0.398 . . . . 1.03 111.542 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.69 -3.48 57.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 1.25 111.426 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.536 ' OE1' ' HD3' ' B' ' 35' ' ' ARG . 77.5 mm-40 58.06 39.08 26.6 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.117 -0.492 . . . . 3.75 109.919 -178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.17 166.99 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.397 -0.82 . . . . 2.36 111.112 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -80.32 179.92 7.44 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 116.209 -0.45 . . . . 1.96 110.446 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 23.6 m170 64.68 39.64 6.3 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.15 0.5 . . . . 1.34 109.947 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.72 ' HB ' ' NH2' ' B' ' 35' ' ' ARG . 37.1 t -138.27 130.43 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 CA-C-N 116.158 -0.474 . . . . 1.1 110.975 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.555 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 64.5 m -70.54 147.32 49.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.752 -0.658 . . . . 0.98 109.601 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' B' ' 36' ' ' GLU . . . -70.83 -9.07 56.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.37 0.878 . . . . 1.12 113.37 -177.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -91.45 -53.89 4.14 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 107.186 -1.413 . . . . 3.25 107.186 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -55.49 -27.99 51.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 112.918 -1.946 . . . . 0.77 110.999 177.652 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.72 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 33.1 ttm-85 -71.58 -47.86 52.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.449 0.642 . . . . 3.59 110.457 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' B' ' 32' ' ' ALA . 16.6 mm-40 -68.45 -27.67 66.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.375 -0.829 . . . . 1.96 111.101 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.516 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 1.3 tppt? -67.35 -48.42 67.54 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.56 -0.745 . . . . 1.91 109.878 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 34' ' ' THR . 70.5 t -65.88 -37.92 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 115.505 -0.77 . . . . 0.62 112.116 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.7 -31.27 69.2 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.617 -0.433 . . . . 1.68 109.916 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.47 -45.24 69.48 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.075 -0.713 . . . . 0.77 109.075 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.01 62.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.311 -0.859 . . . . 0.65 112.118 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.472 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 52.4 mtt -70.24 -26.23 63.75 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.164 -1.05 . . . . 0.71 108.164 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.26 -12.67 40.03 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.467 -1.242 . . . . 0.9 110.173 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -92.38 -52.68 4.55 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.282 -1.377 . . . . 1.58 107.282 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.615 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.2 OUTLIER -72.53 -10.61 60.0 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 114.006 -1.452 . . . . 1.14 112.566 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t30 60.9 46.14 8.9 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.293 -1.002 . . . . 1.24 108.293 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.625 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.6 t80 -60.97 124.44 20.5 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 113.998 -1.455 . . . . 1.46 111.537 -177.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 10.2 mm -138.32 99.0 8.96 Favored Pre-proline 0 N--CA 1.427 -1.603 0 N-CA-C 103.044 -2.947 . . . . 1.34 103.044 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.445 ' HB2' ' NH1' ' B' ' 51' ' ' ARG . 0.5 OUTLIER -29.78 125.56 0.06 OUTLIER 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.915 3.743 . . . . 0.72 116.825 -175.646 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -52.23 94.81 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.397 -1.274 . . . . 0.85 110.246 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' B' ' 49' ' ' PRO . 27.5 mmt180 -57.93 -31.36 66.74 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.033 0.753 . . . . 4.55 113.033 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 78.1 m -73.38 -59.65 2.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 120.792 -0.363 . . . . 0.73 110.923 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.36 86.01 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.688 0.625 . . . . 0.64 112.688 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.439 ' CD ' ' HB3' ' B' ' 49' ' ' PRO . 10.8 mt-30 -63.97 -43.49 95.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.98 0.419 . . . . 1.04 111.129 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -60.87 -36.73 79.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.793 0.806 . . . . 2.45 108.877 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 56' ' ' LEU . 1.5 tp -69.7 -47.52 62.91 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.5 -1.227 . . . . 0.65 110.803 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.61 -63.14 1.25 Allowed 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.687 -0.405 . . . . 1.07 110.332 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.59 0 C-N-CA 118.742 -1.694 . . . . 1.6 110.938 175.322 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo . . . . . 0 N--CA 1.455 -0.767 0 CA-C-O 121.274 0.448 . . . . 1.9 111.38 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.557 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 89.8 t -105.61 171.3 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 106.948 -1.501 . . . . 0.99 106.948 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 9' ' ' VAL . 6.8 p -135.63 163.07 30.97 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 118.16 0.436 . . . . 0.72 110.15 -176.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.643 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -63.62 -16.7 61.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.536 0.684 . . . . 0.66 109.212 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.547 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 47.1 m-85 -77.21 -40.42 45.12 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.275 -0.875 . . . . 0.68 110.184 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.56 -38.48 91.27 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.192 -1.04 . . . . 1.86 108.192 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 5' ' ' THR . 23.1 t -65.31 -42.9 94.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 112.944 -1.934 . . . . 0.66 109.078 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.61 97.31 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.699 -1.137 . . . . 0.65 110.899 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 9.3 mm-40 -69.05 -47.06 66.32 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.077 0.465 . . . . 2.41 110.286 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.576 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 1.8 t80 -61.76 -32.96 73.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.419 -0.81 . . . . 1.68 111.04 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.489 ' HB1' HG22 ' A' ' 38' ' ' VAL . . . -90.0 -20.49 23.21 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.842 -0.617 . . . . 0.71 111.529 -176.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.61 40.6 14.77 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.212 -0.994 . . . . 0.68 110.637 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.459 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.8 m -136.24 -171.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.035 -0.583 . . . . 0.62 109.731 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.3 m -97.78 153.95 17.94 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.815 -0.809 . . . . 1.03 108.815 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.643 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 35.8 p90 -53.11 -45.59 68.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.357 -0.383 . . . . 1.38 111.204 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -23.48 66.93 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.792 -0.363 . . . . 2.08 111.352 176.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.5 m -70.12 -43.29 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.83 -0.804 . . . . 0.61 108.83 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 24' ' ' VAL . 79.6 t -58.79 -46.86 90.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.076 -0.965 . . . . 0.65 110.847 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.9 m -59.06 -28.88 66.87 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.776 0.322 . . . . 1.22 111.44 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -74.6 -28.95 61.13 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.988 -0.551 . . . . 2.65 109.823 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.534 HG22 HG11 ' A' ' 30' ' ' VAL . 95.4 t -79.3 -42.6 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.383 0.611 . . . . 0.92 109.826 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 20' ' ' VAL . 19.4 t -65.55 -53.48 38.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.948 -1.024 . . . . 0.94 111.66 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -82.62 -34.36 27.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.97 1.1 . . . . 1.24 113.97 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 43.0 mt-30 -125.41 -117.72 0.28 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 118.163 0.438 . . . . 4.46 111.196 -177.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 155.89 -29.64 0.0 OUTLIER 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.816 1.323 . . . . 2.66 111.985 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -42.87 -92.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.955 1.094 . . . . 2.08 113.955 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -61.73 42.24 0.01 OUTLIER 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.806 1.242 . . . . 1.63 114.323 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.534 HG11 HG22 ' A' ' 23' ' ' VAL . 2.8 t -135.81 113.89 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.275 0 N-CA-C 108.475 -0.935 . . . . 1.05 108.475 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.1 m -50.63 135.15 23.58 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 123.881 0.738 . . . . 1.29 109.644 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.25 -36.96 53.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.261 -0.427 . . . . 1.09 110.934 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -60.09 -37.69 80.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 3.08 111.471 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -91.23 -42.62 10.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.53 0.567 . . . . 0.98 112.53 -178.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.462 HH11 ' HD3' ' A' ' 35' ' ' ARG . 36.9 ttp180 -55.54 -51.3 67.53 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.204 0.526 . . . . 3.63 112.043 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -69.58 -19.8 63.66 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.352 -0.84 . . . . 1.72 110.736 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -86.4 -28.86 23.3 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.191 -0.459 . . . . 1.44 110.033 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 34' ' ' THR . 83.2 t -74.08 -40.03 51.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.003 -0.74 . . . . 0.68 109.003 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -60.82 -32.02 71.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.626 . . . . 1.7 109.815 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -75.7 -29.81 59.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.054 -0.976 . . . . 0.78 110.726 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.591 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -65.4 -44.22 88.18 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.718 -0.475 . . . . 0.79 109.718 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.445 ' HE3' HG12 ' A' ' 38' ' ' VAL . 37.6 mtt -56.21 -26.53 51.41 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.298 -0.865 . . . . 0.87 112.758 -178.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.68 -24.14 29.1 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.631 0.729 . . . . 0.93 110.397 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 35.3 mm-40 -72.89 -60.92 2.0 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.023 -0.989 . . . . 1.55 112.577 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.719 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -84.53 -5.98 59.34 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.539 -0.755 . . . . 1.79 112.167 -178.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 69.87 66.4 0.23 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.528 0.517 . . . . 2.2 110.892 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.557 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.5 t80 -81.78 126.43 31.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.31 -0.405 . . . . 1.38 111.834 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.77 117.17 34.18 Favored Pre-proline 0 N--CA 1.443 -0.812 0 N-CA-C 109.497 -0.557 . . . . 1.39 109.497 177.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.01 121.44 10.0 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.144 2.563 . . . . 0.78 112.213 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -74.31 99.49 3.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.024 0.44 . . . . 0.69 111.684 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -58.94 -33.07 70.18 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.561 -0.745 . . . . 4.2 112.703 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -40.25 64.83 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 118.118 0.417 . . . . 0.7 110.469 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -68.39 -41.37 80.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.475 -0.935 . . . . 0.53 108.475 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -57.95 -28.94 64.78 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.947 -1.479 . . . . 1.67 109.931 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -83.57 -41.15 18.21 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.593 -0.276 . . . . 2.66 110.401 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.6 tp -56.53 -53.66 54.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.62 0.575 . . . . 0.61 110.886 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.23 -12.23 53.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.735 0.778 . . . . 0.85 109.378 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.194 0 CA-C-N 114.328 -1.306 . . . . 1.86 114.516 -179.675 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 N--CA 1.46 -0.446 0 N-CA-C 109.958 -0.824 . . . . 1.75 109.958 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.754 HG21 ' O ' ' B' ' 45' ' ' LEU . 20.4 t -81.56 153.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.091 -0.959 . . . . 0.83 109.546 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.675 HG22 ' HB2' ' B' ' 50' ' ' ASN . 76.9 p -135.53 171.13 14.89 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.914 -0.585 . . . . 0.68 111.421 -176.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.562 ' HG ' HG11 ' B' ' 20' ' ' VAL . 0.5 OUTLIER -50.21 -29.78 10.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.125 0.488 . . . . 0.66 111.258 178.765 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -71.86 -38.35 70.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.93 -0.577 . . . . 1.22 110.922 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.405 ' CB ' HG13 ' B' ' 4' ' ' VAL . 0.4 OUTLIER -69.1 -31.62 70.46 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.605 0.717 . . . . 1.45 109.258 178.825 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.711 ' HA ' HD23 ' B' ' 45' ' ' LEU . 29.0 t -71.06 -45.13 73.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.692 -1.14 . . . . 0.55 110.684 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.654 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -59.89 -43.52 94.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.871 -0.604 . . . . 0.63 111.837 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -62.11 -52.84 62.24 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.023 -0.535 . . . . 2.46 112.231 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.585 ' HB3' HD21 ' B' ' 45' ' ' LEU . 62.1 t80 -60.2 -48.97 79.49 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.825 0.676 . . . . 1.39 112.825 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.77 -19.82 63.5 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 112.437 0.532 . . . . 0.69 112.437 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.91 47.46 19.41 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 119.87 -1.157 . . . . 1.09 111.622 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -132.65 165.13 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.238 0 N-CA-C 107.914 -1.143 . . . . 0.62 107.914 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.4 p -68.85 152.02 45.84 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.335 -1.357 . . . . 1.31 107.335 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.449 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -64.18 -17.81 63.87 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 111.717 0.266 . . . . 1.58 111.717 -178.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -25.01 32.84 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.877 -0.786 . . . . 0.89 108.877 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 23' ' ' VAL . 19.7 m -62.59 -36.59 83.21 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.571 -0.74 . . . . 0.64 109.471 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.654 HG21 ' HB2' ' B' ' 10' ' ' ALA . 2.7 t -65.66 -47.75 85.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 114.641 -1.163 . . . . 1.17 109.2 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.7 t -56.34 -48.26 77.13 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.882 -1.155 . . . . 1.13 107.882 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -42.16 64.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.014 -0.994 . . . . 2.87 112.665 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 19' ' ' THR . 77.4 t -75.2 -33.15 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.169 0.509 . . . . 0.86 110.921 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 t -75.67 -33.14 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.809 -0.632 . . . . 1.03 110.897 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -76.12 -82.26 0.08 Allowed 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.581 0.705 . . . . 1.25 110.708 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -154.87 96.78 1.89 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.345 -1.298 . . . . 3.75 109.577 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.12 120.96 5.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.783 -0.644 . . . . 2.36 110.385 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -159.44 -46.11 0.05 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.895 -0.593 . . . . 1.96 111.136 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -103.13 39.1 1.62 Allowed 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.203 -1.036 . . . . 1.34 108.203 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.4 ' CG1' ' HB ' ' B' ' 34' ' ' THR . 3.7 t -137.74 141.15 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.147 -0.933 . . . . 1.1 109.727 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.47 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 72.2 m -75.73 160.23 30.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.066 -0.515 . . . . 0.98 110.468 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.92 -51.89 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.819 0.342 . . . . 1.12 111.584 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -52.79 -59.51 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.518 -0.764 . . . . 3.25 110.937 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.47 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -52.84 -41.08 63.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.682 -1.145 . . . . 0.77 112.103 -179.077 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 21.9 ttp180 -63.15 -48.44 78.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.4 0.619 . . . . 3.59 110.802 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -75.14 -25.55 58.48 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.274 -0.876 . . . . 1.96 112.357 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -68.33 -39.84 81.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.281 0.562 . . . . 1.91 109.695 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.46 ' O ' ' HG3' ' B' ' 42' ' ' MET . 73.9 t -70.15 -40.18 77.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.405 -0.816 . . . . 0.62 110.346 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 36.7 mt-10 -63.42 -40.78 98.1 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.057 -0.52 . . . . 1.68 110.04 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.06 -48.88 76.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.658 -0.701 . . . . 0.77 110.547 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.37 -30.21 27.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.298 -0.865 . . . . 0.65 111.779 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.46 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 58.1 mtt -62.18 -21.74 65.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.117 -0.492 . . . . 0.71 110.564 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.83 -51.41 5.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.348 -0.387 . . . . 0.9 110.823 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.59 -46.89 83.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.263 -0.88 . . . . 1.58 109.855 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.754 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -74.81 -21.87 59.05 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.781 -1.1 . . . . 1.14 110.936 179.256 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t30 64.93 45.61 3.13 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 107.063 -1.458 . . . . 1.24 107.063 -175.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.621 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.3 t80 -59.83 121.09 10.85 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 114.568 -1.196 . . . . 1.46 111.131 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.1 mm -127.05 106.02 22.16 Favored Pre-proline 0 N--CA 1.435 -1.191 0 N-CA-C 104.228 -2.508 . . . . 1.34 104.228 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.457 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 2.1 Cg_exo -34.03 126.29 0.17 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.944 3.096 . . . . 0.72 114.415 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.675 ' HB2' HG22 ' B' ' 5' ' ' THR . 38.8 t-20 -65.93 81.34 0.07 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.193 -0.912 . . . . 0.85 110.714 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -48.14 -25.63 1.55 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 114.259 1.207 . . . . 4.55 114.259 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 16.2 m -77.73 -52.47 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.556 -0.715 . . . . 0.73 110.959 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.56 -34.87 67.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.025 -0.534 . . . . 0.64 110.964 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.457 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 26.0 mt-30 -70.13 -28.32 65.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.914 -0.584 . . . . 1.04 111.938 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -81.26 -22.29 38.81 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.866 -1.161 . . . . 2.45 107.866 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.2 tp -85.39 -39.45 17.58 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.028 -0.987 . . . . 0.65 111.133 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.96 2.49 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.268 0.47 . . . . 1.07 112.268 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.184 0 C-N-CA 120.9 -0.667 . . . . 1.6 113.542 179.503 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo . . . . . 0 CA--C 1.534 0.486 0 CA-C-O 122.002 0.751 . . . . 1.9 113.333 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.622 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 43.8 t -116.29 -179.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 106.453 -1.684 . . . . 0.99 106.453 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.615 ' H ' HG12 ' A' ' 4' ' ' VAL . 8.4 p -140.14 165.5 27.19 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 118.679 0.672 . . . . 0.72 110.398 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -63.78 -20.91 66.14 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.08 -0.964 . . . . 0.66 109.937 177.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -76.1 -36.56 58.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 116.309 -0.405 . . . . 0.68 110.301 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.59 -40.6 95.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.761 -1.2 . . . . 1.86 107.761 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.493 HG21 ' CD2' ' A' ' 47' ' ' TYR . 39.5 t -64.27 -46.28 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 113.942 -1.481 . . . . 0.66 109.7 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.455 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -63.1 -39.19 93.96 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.596 -1.184 . . . . 0.65 111.179 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -66.93 -49.99 63.77 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.127 0.489 . . . . 2.41 110.019 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.682 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.4 t80 -59.37 -34.47 72.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.718 -0.673 . . . . 1.68 111.092 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.617 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -87.82 -19.77 26.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.008 -0.996 . . . . 0.71 112.048 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.54 32.76 54.07 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.182 -1.167 . . . . 0.68 110.182 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.1 m -124.16 -169.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 114.948 -0.626 . . . . 0.62 110.228 -177.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.9 m -100.54 150.49 22.63 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.27 -1.011 . . . . 1.03 108.27 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.512 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.4 p90 -52.45 -39.19 60.79 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.206 -0.598 . . . . 1.38 111.004 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.484 ' NE2' ' HG3' ' A' ' 22' ' ' ARG . 8.0 tp60 -65.32 -27.22 68.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 120.567 -0.453 . . . . 2.08 111.372 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 23' ' ' VAL . 85.1 m -65.29 -41.44 94.14 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.561 -0.903 . . . . 0.61 108.561 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.611 ' O ' HG23 ' A' ' 24' ' ' VAL . 80.5 t -63.91 -55.06 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.623 -1.171 . . . . 0.65 110.086 176.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m -58.38 -26.4 63.15 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.31 -0.405 . . . . 1.22 112.048 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HG3' ' NE2' ' A' ' 18' ' ' GLN . 23.2 mtm-85 -68.81 -32.09 71.56 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.404 -0.591 . . . . 2.65 109.404 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.49 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 58.2 t -85.95 -42.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.703 -0.68 . . . . 0.92 111.083 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 20' ' ' VAL . 21.8 t -63.34 -47.55 91.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.561 -0.745 . . . . 0.94 111.592 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.455 ' C ' ' HG2' ' A' ' 26' ' ' GLN . 9.2 m-80 -66.64 -43.09 85.57 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.77 -0.65 . . . . 1.24 112.501 -178.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.455 ' HG2' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -166.15 -67.08 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.476 0.547 . . . . 4.46 112.476 -178.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.49 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 97.86 145.91 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 125.749 1.619 . . . . 2.66 112.396 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 t -171.64 -89.26 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.274 -1.33 . . . . 2.08 107.844 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -66.56 52.48 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.596 1.158 . . . . 1.63 112.381 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -140.57 129.95 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 N-CA-C 107.229 -1.397 . . . . 1.05 107.229 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.5 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 36.2 m -60.21 132.72 54.81 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 109.343 -0.614 . . . . 1.29 109.343 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.604 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -52.43 -36.97 55.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 1.09 111.097 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -59.67 -42.78 93.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.596 -0.729 . . . . 3.08 110.314 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.5 ' OG1' ' HB2' ' A' ' 31' ' ' SER . 0.0 OUTLIER -72.27 -39.87 68.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.711 -0.222 . . . . 0.98 111.2 -179.066 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 35' ' ' ARG . 41.5 mtm-85 -55.89 -48.78 75.01 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.271 0.557 . . . . 3.63 111.609 179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 14.2 mt-10 -68.96 -19.79 64.17 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.984 -1.007 . . . . 1.72 110.929 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -86.44 -32.24 20.96 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.579 -0.282 . . . . 1.44 110.417 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.544 HG11 ' HA ' ' A' ' 20' ' ' VAL . 53.6 t -74.6 -43.2 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.359 -0.608 . . . . 0.68 109.359 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 33.8 mt-10 -66.05 -21.7 66.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.18 -0.918 . . . . 1.7 110.177 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.737 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -82.67 -35.72 26.59 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.195 -0.911 . . . . 0.78 109.251 177.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.682 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -68.24 -46.21 71.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.282 -0.417 . . . . 0.79 110.266 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.598 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.8 ptp -68.16 -17.96 64.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.398 -0.819 . . . . 0.87 111.424 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.28 -24.11 27.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.305 -0.628 . . . . 0.93 109.305 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.737 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 48.4 mm-40 -72.45 -63.12 1.22 Allowed 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 114.995 -1.002 . . . . 1.55 112.509 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.757 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.75 -0.78 28.3 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.289 -0.869 . . . . 1.79 111.384 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 66.11 65.53 0.51 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.697 0.76 . . . . 2.2 111.937 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.622 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.0 t80 -84.23 125.39 32.17 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.071 -0.968 . . . . 1.38 112.28 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -112.13 114.28 51.24 Favored Pre-proline 0 N--CA 1.443 -0.798 0 CA-C-N 114.861 -1.063 . . . . 1.39 109.47 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -60.55 115.08 2.43 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 121.858 1.706 . . . . 0.78 110.962 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -76.71 103.61 6.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.49 0.662 . . . . 0.69 111.512 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -65.79 -16.42 63.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 4.2 110.642 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.36 -45.43 62.88 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.367 -0.605 . . . . 0.7 109.367 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.673 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -67.42 -38.03 83.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.343 -0.844 . . . . 0.53 109.64 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.89 -44.65 96.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.068 -0.969 . . . . 1.67 110.149 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -62.47 -29.02 70.22 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.085 0.469 . . . . 2.66 110.606 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 tp -77.6 -45.53 24.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.977 -0.556 . . . . 0.61 110.842 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.28 -19.72 61.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.88 -0.6 . . . . 0.85 111.327 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.859 0 C-N-CA 120.926 -0.654 . . . . 1.86 111.97 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 N--CA 1.452 -0.937 0 CA-C-O 121.194 0.414 . . . . 1.75 111.057 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.627 HG12 ' H ' ' B' ' 5' ' ' THR . 4.9 t -127.82 174.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.455 -0.793 . . . . 0.83 109.947 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.627 ' H ' HG12 ' B' ' 4' ' ' VAL . 17.4 p -136.06 161.75 34.82 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 119.388 -0.339 . . . . 0.68 111.568 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.83 -29.56 55.24 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 123.657 0.598 . . . . 0.66 111.278 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -67.98 -36.97 80.92 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 116.228 -0.442 . . . . 1.22 110.95 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -71.63 -26.71 62.67 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.466 -0.494 . . . . 1.45 109.969 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.0 -44.43 50.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-N 115.925 -0.58 . . . . 0.55 110.047 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.617 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -57.03 -52.71 64.18 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.087 -0.96 . . . . 0.63 111.0 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.23 -51.77 68.35 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.786 -1.097 . . . . 2.46 111.773 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.462 ' CD1' HD21 ' B' ' 45' ' ' LEU . 24.8 t80 -61.17 -53.83 52.05 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.642 0.608 . . . . 1.39 112.642 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.04 69.44 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 120.815 0.34 . . . . 0.69 111.874 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.68 51.49 4.04 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.761 -0.733 . . . . 1.09 111.4 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.545 HG12 HG22 ' B' ' 34' ' ' THR . 16.2 m -136.56 163.93 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.809 0 N-CA-C 108.407 -0.96 . . . . 0.62 108.407 178.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 30.6 p -67.06 157.31 33.86 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.498 -1.297 . . . . 1.31 107.498 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -13.39 61.97 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.84 0.352 . . . . 1.58 110.217 -178.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -85.49 -40.7 16.07 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.306 -1.368 . . . . 0.89 107.306 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -49.74 -35.39 22.0 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.117 -1.402 . . . . 0.64 110.627 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.617 HG21 ' HB2' ' B' ' 10' ' ' ALA . 2.2 t -69.55 -49.43 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.019 -0.991 . . . . 1.17 110.072 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.3 m -52.49 -49.24 65.12 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.247 -1.39 . . . . 1.13 107.247 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -53.04 -46.06 68.3 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 113.711 -1.586 . . . . 2.87 112.861 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.07 -34.8 46.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.58 -0.282 . . . . 0.86 110.892 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.21 -30.45 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-N 115.52 -0.764 . . . . 1.03 111.405 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -97.5 -83.43 0.4 Allowed 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 112.719 0.637 . . . . 1.25 112.719 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -149.97 93.65 2.05 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.363 -0.835 . . . . 3.75 109.703 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.1 124.44 10.18 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.619 -0.719 . . . . 2.36 109.68 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.35 -42.66 1.66 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.322 0.582 . . . . 1.96 111.308 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -122.46 37.94 4.27 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.325 -0.852 . . . . 1.34 108.905 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.13 125.64 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.112 -0.949 . . . . 1.1 111.333 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.492 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 57.3 m -62.74 157.17 21.73 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.61 -0.723 . . . . 0.98 110.578 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.83 -58.3 8.44 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.11 0.782 . . . . 1.12 113.11 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -53.21 -49.5 66.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.313 -0.403 . . . . 3.25 111.711 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.545 HG22 HG12 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -59.43 -33.86 71.79 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 123.601 0.563 . . . . 0.77 111.84 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 36.5 ttp85 -72.82 -42.4 63.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.245 0.545 . . . . 3.59 109.817 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.6 -39.03 77.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.52 -0.763 . . . . 1.96 111.951 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -59.48 -43.37 93.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.279 -0.873 . . . . 1.91 111.542 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' B' ' 42' ' ' MET . 87.5 t -68.22 -37.13 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 CA-C-N 115.618 -0.719 . . . . 0.62 110.761 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.97 -34.87 77.38 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.537 -0.756 . . . . 1.68 109.623 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.93 70.33 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.215 0.531 . . . . 0.77 110.658 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.493 ' O ' HD12 ' B' ' 45' ' ' LEU . . . -55.16 -28.81 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.775 -1.102 . . . . 0.65 112.555 178.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 67.0 mtt -65.54 -20.4 66.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.005 -0.543 . . . . 0.71 110.136 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.85 -54.11 4.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.795 -0.639 . . . . 0.9 111.947 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.47 -56.12 15.07 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.203 1.001 . . . . 1.58 111.884 -179.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.493 HD12 ' O ' ' B' ' 41' ' ' ALA . 2.4 mt -76.91 -8.05 56.66 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.438 -1.71 . . . . 1.14 112.87 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.527 ' O ' HG12 ' B' ' 48' ' ' ILE . 63.5 t30 57.21 47.21 17.44 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.397 0.618 . . . . 1.24 109.435 -177.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.612 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.0 t80 -57.15 125.82 24.42 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.997 -1.001 . . . . 1.46 109.224 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.527 HG12 ' O ' ' B' ' 46' ' ' ASN . 29.3 mm -134.7 100.36 12.31 Favored Pre-proline 0 N--CA 1.429 -1.5 0 N-CA-C 104.269 -2.493 . . . . 1.34 104.269 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.473 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.1 OUTLIER -30.05 127.65 0.06 OUTLIER 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 124.729 3.62 . . . . 0.72 115.58 -176.641 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.571 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 39.2 t-20 -62.33 87.78 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 115.856 -0.611 . . . . 0.85 109.58 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -53.72 -27.56 28.94 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.991 1.108 . . . . 4.55 113.991 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 56.3 m -77.92 -60.82 2.21 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 111.976 0.362 . . . . 0.73 111.976 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.66 99.35 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.109 -0.496 . . . . 0.64 111.313 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 47.8 mt-30 -56.57 -59.1 5.49 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.312 -0.858 . . . . 1.04 110.07 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -51.1 -27.73 9.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.241 -0.436 . . . . 2.45 110.946 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.673 HD11 ' HB2' ' A' ' 53' ' ' ALA . 2.0 tp -75.43 -46.47 32.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.002 -0.545 . . . . 0.65 110.206 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.1 6.29 3.59 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.852 0.686 . . . . 1.07 112.852 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.683 0 C-N-CA 119.876 -1.154 . . . . 1.6 114.562 178.925 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo . . . . . 0 CA--C 1.517 -0.338 0 N-CA-C 111.235 -0.333 . . . . 1.9 111.235 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.529 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 65.0 t -117.92 125.21 74.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.777 -1.194 . . . . 0.99 107.777 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 9' ' ' VAL . 18.0 p -99.98 178.27 4.85 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 113.228 0.825 . . . . 0.72 113.228 -176.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.519 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.47 -17.46 64.81 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.657 -1.156 . . . . 0.66 109.835 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -76.04 -41.14 51.74 Favored 'General case' 0 N--CA 1.46 0.06 0 CA-C-N 116.219 -0.446 . . . . 0.68 110.526 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -64.88 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 122.649 1.214 . . . . 1.86 107.792 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 5' ' ' THR . 42.6 t -66.15 -48.24 82.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 112.868 -1.969 . . . . 0.66 110.264 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.98 -39.03 80.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.65 111.22 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -49.99 57.57 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.708 -0.678 . . . . 2.41 111.161 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.47 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 70.5 t80 -66.76 -24.74 66.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.561 -0.29 . . . . 1.68 111.682 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -88.91 -24.49 22.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.851 0.834 . . . . 0.71 110.525 -177.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.45 43.65 15.11 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 110.423 -1.071 . . . . 0.68 110.423 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.443 HG22 ' HB3' ' A' ' 13' ' ' ALA . 27.5 m -135.05 -167.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.714 -0.743 . . . . 0.62 110.057 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.1 p -97.88 151.98 19.68 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.246 -1.39 . . . . 1.03 107.246 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.519 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 16.5 p90 -55.03 -38.2 67.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 109.473 -0.565 . . . . 1.38 109.473 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -33.68 76.2 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.456 -0.793 . . . . 2.08 111.462 177.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.4 m -64.12 -40.98 97.34 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.107 -0.701 . . . . 0.61 109.107 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.667 ' HA ' HG11 ' A' ' 38' ' ' VAL . 43.5 t -59.97 -51.33 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 115.624 -0.716 . . . . 0.65 110.17 177.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -30.55 70.44 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.522 -0.763 . . . . 1.22 110.459 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.62 ' HB3' HG21 ' A' ' 30' ' ' VAL . 39.1 mtt180 -69.74 -31.77 69.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.658 -0.867 . . . . 2.65 108.658 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.61 HG13 ' HG3' ' A' ' 35' ' ' ARG . 78.0 t -80.12 -40.44 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-O 120.828 0.347 . . . . 0.92 110.736 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 20' ' ' VAL . 40.2 t -61.36 -41.21 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-O 121.74 0.781 . . . . 0.94 109.051 178.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -71.32 -33.97 70.13 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.387 -1.279 . . . . 1.24 111.61 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 21.9 mt-30 65.72 53.49 1.18 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.23 0.612 . . . . 4.46 112.136 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.04 -161.27 0.76 Allowed 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.869 -0.605 . . . . 2.66 111.788 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.482 ' O ' HG23 ' A' ' 30' ' ' VAL . 94.2 p -91.93 -173.88 3.63 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.61 -0.723 . . . . 2.08 109.762 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.8 m170 61.31 25.05 15.07 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 122.02 0.914 . . . . 1.63 110.471 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.62 HG21 ' HB3' ' A' ' 22' ' ' ARG . 59.5 t -136.85 126.49 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 114.788 -1.096 . . . . 1.05 110.382 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m -74.02 142.96 45.73 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.599 0.714 . . . . 1.29 111.052 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.78 -30.58 70.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.921 -0.581 . . . . 1.09 110.712 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 10.7 mtpp -60.0 -52.13 66.69 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.197 0.522 . . . . 3.08 110.353 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -66.62 -36.19 81.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.209 -0.45 . . . . 0.98 111.274 -179.445 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.61 ' HG3' HG13 ' A' ' 23' ' ' VAL . 38.8 ttp180 -59.13 -45.69 90.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.332 -0.395 . . . . 3.63 111.51 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.13 -27.07 62.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.898 0.703 . . . . 1.72 112.898 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -82.11 -25.07 34.76 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.489 0.662 . . . . 1.44 110.96 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.667 HG11 ' HA ' ' A' ' 20' ' ' VAL . 69.1 t -80.91 -40.62 18.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.277 -0.874 . . . . 0.68 109.369 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.87 -34.47 73.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.111 -0.95 . . . . 1.7 109.792 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.73 -38.03 79.89 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.509 -1.223 . . . . 0.78 110.204 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.53 89.36 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.327 -0.852 . . . . 0.79 110.614 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 23.7 mtt -61.29 -27.91 68.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.864 0.69 . . . . 0.87 112.864 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.29 -32.39 24.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.589 0.709 . . . . 0.93 110.34 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.47 ' HG3' ' CE2' ' A' ' 12' ' ' TYR . 21.1 mm-40 -65.64 -57.63 7.64 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-N 114.697 -1.138 . . . . 1.55 110.576 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.409 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -82.92 -9.11 59.46 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.288 -1.324 . . . . 1.79 112.543 -177.642 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.401 ' O ' HD12 ' A' ' 48' ' ' ILE . 17.4 m120 62.21 58.81 1.72 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.84 0.829 . . . . 2.2 109.091 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.529 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 5.7 t80 -76.35 125.45 29.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.667 -1.151 . . . . 1.38 111.315 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 46' ' ' ASN . 3.4 mp -106.52 113.1 63.45 Favored Pre-proline 0 N--CA 1.441 -0.908 0 N-CA-C 109.179 -0.674 . . . . 1.39 109.179 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.04 126.76 17.85 Favored 'Trans proline' 0 N--CA 1.475 0.421 0 C-N-CA 122.832 2.355 . . . . 0.78 111.888 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -85.45 98.6 10.69 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.504 0.668 . . . . 0.69 112.065 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -19.15 63.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.487 -0.779 . . . . 4.2 111.057 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.462 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -77.85 -37.36 48.54 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.261 -0.882 . . . . 0.7 110.003 -179.741 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.884 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -78.41 -41.97 31.54 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.301 0.572 . . . . 0.53 109.978 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.43 -31.6 71.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.566 -0.743 . . . . 1.67 110.21 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.59 -25.95 50.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.287 -0.634 . . . . 2.66 109.287 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.479 HD22 HD22 ' B' ' 56' ' ' LEU . 11.2 tp -63.13 -53.65 50.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.559 -0.746 . . . . 0.61 110.199 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.64 -15.04 58.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.491 0.662 . . . . 0.85 110.501 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.08 0 CA-C-N 115.464 -0.789 . . . . 1.86 111.468 178.881 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.456 -0.679 0 CA-C-O 121.11 0.379 . . . . 1.75 112.032 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.695 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 54.5 t -107.07 164.15 4.84 Favored 'Isoleucine or valine' 0 C--O 1.243 0.745 0 N-CA-C 108.866 -0.79 . . . . 0.83 108.866 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.4 p -132.9 162.26 32.07 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 119.978 -0.689 . . . . 0.68 110.279 -177.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.53 -28.31 59.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.672 0.272 . . . . 0.66 110.905 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -67.76 -35.0 77.92 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.629 0.728 . . . . 1.22 111.139 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -71.12 -34.46 71.09 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.26 -0.645 . . . . 1.45 109.26 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.615 ' HA ' HD23 ' B' ' 45' ' ' LEU . 60.5 t -68.67 -40.9 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.219 -0.9 . . . . 0.55 110.848 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.671 ' HB2' HG11 ' B' ' 20' ' ' VAL . . . -62.44 -52.23 64.34 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.499 -0.773 . . . . 0.63 111.446 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.28 -49.53 77.26 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.238 -0.892 . . . . 2.46 112.603 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.487 ' CB ' HD21 ' B' ' 45' ' ' LEU . 56.9 t80 -57.91 -43.53 86.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.435 0.531 . . . . 1.39 112.435 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.452 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -75.64 -21.94 57.25 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.675 -0.41 . . . . 0.69 111.502 -177.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.81 46.44 5.99 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.76 -0.733 . . . . 1.09 112.71 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 m -135.24 167.29 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 N-CA-C 108.438 -0.949 . . . . 0.62 108.438 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.7 m -74.41 163.79 27.37 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 120.182 -0.607 . . . . 1.31 109.657 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.495 ' O ' HG12 ' B' ' 20' ' ' VAL . 0.2 OUTLIER -64.49 -40.73 96.21 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 120.873 0.368 . . . . 1.58 110.771 -178.314 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -62.06 -31.98 72.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.231 -0.918 . . . . 0.89 111.03 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -59.8 -49.9 75.91 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.646 0.779 . . . . 0.64 112.071 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.671 HG11 ' HB2' ' B' ' 10' ' ' ALA . 5.3 p -62.95 -43.8 99.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 115.75 -0.659 . . . . 1.17 111.242 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -48.83 74.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.146 -1.057 . . . . 1.13 108.146 177.44 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -52.4 -37.14 55.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.848 -1.069 . . . . 2.87 112.483 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.3 t -69.16 -40.58 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.437 -0.579 . . . . 0.86 109.437 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.13 -35.89 73.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-O 121.627 0.727 . . . . 1.03 109.181 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -9.36 58.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.803 -0.635 . . . . 1.25 110.903 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 55.74 44.14 26.74 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.994 -0.743 . . . . 3.75 108.994 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.94 161.79 25.72 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.863 -1.062 . . . . 2.36 111.259 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -28.02 27.9 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.409 -0.814 . . . . 1.96 111.898 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -83.66 47.04 1.23 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.066 -0.516 . . . . 1.34 110.982 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -137.28 120.6 21.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.09 -0.504 . . . . 1.1 109.951 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.448 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 69.9 m -66.74 151.96 46.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.078 -0.51 . . . . 0.98 110.339 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.59 75.92 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 120.694 0.283 . . . . 1.12 111.618 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -58.62 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.316 0.579 . . . . 3.25 111.656 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.45 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -56.52 -40.63 75.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.421 -1.263 . . . . 0.77 111.507 179.691 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 tpp85 -61.46 -50.35 73.13 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 123.289 0.368 . . . . 3.59 110.852 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.08 -31.59 71.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.974 -0.557 . . . . 1.96 112.455 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.452 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 2.1 ttpt -63.9 -40.77 97.26 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.933 0.873 . . . . 1.91 110.139 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.512 ' CG1' HG23 ' B' ' 20' ' ' VAL . 98.0 t -72.54 -43.07 63.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.845 -1.071 . . . . 0.62 111.412 -178.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -64.0 -34.9 79.05 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.13 0.49 . . . . 1.68 110.231 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.45 -46.24 67.2 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.823 -0.626 . . . . 0.77 110.044 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.91 -30.19 57.86 Favored 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 123.54 0.525 . . . . 0.65 111.605 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 63.3 mtt -63.03 -22.53 66.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.921 0.763 . . . . 0.71 110.009 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.95 -46.95 8.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 O-C-N 123.461 0.475 . . . . 0.9 110.769 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -44.46 85.96 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.808 -0.812 . . . . 1.58 108.808 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.653 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -74.61 -19.51 60.28 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 114.848 -1.069 . . . . 1.14 113.296 -179.326 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.418 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.8 OUTLIER 64.59 41.9 5.15 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 107.098 -1.445 . . . . 1.24 107.098 -175.385 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.695 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -55.21 124.8 18.13 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 114.223 -1.353 . . . . 1.46 111.607 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.418 HG12 ' O ' ' B' ' 46' ' ' ASN . 17.6 mm -134.53 99.58 12.93 Favored Pre-proline 0 N--CA 1.439 -0.996 0 N-CA-C 103.645 -2.724 . . . . 1.34 103.645 176.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -31.49 127.84 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 124.744 3.629 . . . . 0.72 115.595 -175.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -71.0 78.2 0.65 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 114.953 -1.022 . . . . 0.85 110.061 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.581 ' O ' ' HG3' ' B' ' 55' ' ' GLN . 8.0 tpp180 -52.79 -16.71 1.06 Allowed 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 115.18 -0.918 . . . . 4.55 113.018 -177.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.462 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 68.9 m -67.86 -60.99 2.09 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 121.488 0.661 . . . . 0.73 109.732 178.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.51 -25.67 41.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.259 -0.882 . . . . 0.64 111.126 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.55 ' HB2' ' HA ' ' B' ' 51' ' ' ARG . 3.6 mt-30 -61.78 -36.28 80.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.024 -0.534 . . . . 1.04 110.135 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' B' ' 51' ' ' ARG . 37.7 mt-30 -70.63 -50.83 32.78 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 107.881 -1.155 . . . . 2.45 107.881 178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' A' ' 53' ' ' ALA . 5.9 mp -52.53 -41.44 63.49 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.247 -0.888 . . . . 0.65 111.394 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.51 -6.73 54.61 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 113.865 1.061 . . . . 1.07 113.865 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.531 0 C-N-CA 119.197 -1.478 . . . . 1.6 113.906 177.466 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo . . . . . 0 N--CA 1.458 -0.581 0 N-CA-C 111.249 -0.327 . . . . 1.9 111.249 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.667 HG11 ' HG ' ' A' ' 45' ' ' LEU . 19.4 t -51.57 162.38 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.304 -0.998 . . . . 0.99 108.304 176.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.8 p -126.92 171.32 11.39 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.587 0.708 . . . . 0.72 110.669 -174.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -61.99 -21.64 65.01 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.947 -1.024 . . . . 0.66 109.51 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -77.44 -35.3 54.11 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.231 -0.44 . . . . 0.68 110.965 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.602 ' HB2' HG13 ' A' ' 4' ' ' VAL . 4.4 m-20 -65.77 -43.27 89.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.444 -1.317 . . . . 1.86 107.444 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 5' ' ' THR . 21.6 t -61.87 -46.44 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 113.218 -1.81 . . . . 0.66 109.736 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.441 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -59.43 -35.64 74.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.082 -0.963 . . . . 0.65 111.016 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -71.71 -46.55 58.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.347 0.594 . . . . 2.41 110.234 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.721 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.3 t80 -64.43 -37.44 87.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 122.141 0.972 . . . . 1.68 110.457 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.491 ' O ' ' HD2' ' A' ' 37' ' ' LYS . . . -87.39 -15.19 38.53 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 114.519 -1.218 . . . . 0.71 110.681 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.85 48.0 57.45 Favored Glycine 0 N--CA 1.437 -1.24 0 N-CA-C 111.117 -0.793 . . . . 0.68 111.117 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 27.2 m -135.57 -170.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.149 0 CA-C-N 114.825 -0.688 . . . . 0.62 109.164 -178.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -95.78 163.91 12.97 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.731 -1.211 . . . . 1.03 107.731 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.482 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.2 p90 -67.0 -35.17 79.35 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.26 -0.976 . . . . 1.38 109.792 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -63.27 -32.85 74.36 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.416 -0.586 . . . . 2.08 109.416 177.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.508 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 21.5 m -60.83 -46.59 89.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.259 0.552 . . . . 0.61 110.214 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.547 ' O ' HG23 ' A' ' 24' ' ' VAL . 25.3 t -56.81 -47.58 82.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.424 -0.807 . . . . 0.65 110.504 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 12.1 m -66.3 -21.78 66.27 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.211 -0.45 . . . . 1.22 110.594 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' A' ' 19' ' ' THR . 32.5 mmt180 -68.11 -37.55 81.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.871 -0.418 . . . . 2.65 109.871 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.411 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 59.6 t -86.99 -43.1 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 112.655 0.613 . . . . 0.92 112.655 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.7 t -61.98 -44.59 99.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.747 -0.66 . . . . 0.94 111.307 -178.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.542 ' HB2' ' O ' ' A' ' 21' ' ' SER . 5.1 m-80 -70.63 -40.28 73.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.329 -0.85 . . . . 1.24 113.138 -177.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -160.42 -59.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.928 0.714 . . . . 4.46 112.928 -177.24 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 26' ' ' GLN . . . 86.76 131.64 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 124.722 1.209 . . . . 2.66 109.764 -178.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.7 t -168.48 -88.29 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.121 -1.066 . . . . 2.08 108.121 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -70.16 49.78 0.11 Allowed 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.256 1.022 . . . . 1.63 111.294 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.74 126.15 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 107.375 -1.342 . . . . 1.05 107.375 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.63 141.11 57.92 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.424 -0.51 . . . . 1.29 109.936 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.53 -36.52 45.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 1.09 111.009 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -51.52 -42.18 61.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.467 -0.788 . . . . 3.08 110.795 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -86.93 -45.84 10.44 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.025 -0.989 . . . . 0.98 112.627 -178.584 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -51.75 -45.38 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.573 0.583 . . . . 3.63 112.573 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -77.03 -17.69 58.64 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.906 -0.588 . . . . 1.72 111.09 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HD2' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -88.57 -28.77 20.5 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.68 -0.691 . . . . 1.44 110.448 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 34' ' ' THR . 98.4 t -78.42 -45.5 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-O 121.32 0.581 . . . . 0.68 109.534 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -64.0 -23.39 67.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.272 -0.877 . . . . 1.7 109.785 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.36 -33.44 42.93 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.354 -0.839 . . . . 0.78 109.889 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -65.83 -42.71 90.24 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.042 -0.981 . . . . 0.79 110.285 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.413 ' HE3' HG12 ' A' ' 38' ' ' VAL . 24.5 mtt -60.47 -23.33 64.38 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.77 0.669 . . . . 0.87 112.565 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.55 -30.48 29.66 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.911 -0.774 . . . . 0.93 108.911 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 28.1 mm-40 -69.08 -62.65 1.29 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.751 -1.113 . . . . 1.55 112.549 -178.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.754 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -80.61 -7.82 59.4 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.478 -0.783 . . . . 1.79 111.683 -179.347 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 67.12 68.89 0.39 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.518 0.675 . . . . 2.2 111.26 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.593 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.7 t80 -83.82 128.96 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.22 -0.9 . . . . 1.38 111.83 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.3 mp -111.53 109.41 55.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.959 -0.756 . . . . 1.39 108.959 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.39 117.84 4.71 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.322 2.015 . . . . 0.78 112.965 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -78.37 99.57 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.69 111.913 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -8.18 26.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 4.2 110.132 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -83.64 -35.04 24.9 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.64 -0.504 . . . . 0.7 109.64 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.502 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -80.28 -30.87 38.36 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.216 0.532 . . . . 0.53 109.81 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.63 -41.07 98.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.685 -1.143 . . . . 1.67 108.387 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -68.62 -26.39 65.33 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.041 -0.981 . . . . 2.66 110.545 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tp -73.89 -48.91 27.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.364 0.602 . . . . 0.61 110.322 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.72 -20.22 66.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.391 -0.822 . . . . 0.85 112.649 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.781 0 C-N-CA 120.002 -1.094 . . . . 1.86 112.899 -178.498 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 N--CA 1.456 -0.697 0 CA-C-O 121.906 0.711 . . . . 1.75 112.031 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.713 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 6.2 t -109.68 177.37 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 114.642 -1.163 . . . . 0.83 108.477 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.681 ' H ' HG12 ' B' ' 4' ' ' VAL . 10.9 p -137.14 158.75 43.75 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 118.987 -0.53 . . . . 0.68 110.235 -178.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.633 ' HG ' HG11 ' B' ' 20' ' ' VAL . 0.9 OUTLIER -53.94 -31.08 49.22 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 124.631 1.207 . . . . 0.66 110.438 177.557 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -68.33 -40.01 81.73 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 123.495 0.497 . . . . 1.22 111.022 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.427 ' HB2' HG12 ' B' ' 4' ' ' VAL . 13.7 m-20 -62.95 -36.96 85.2 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.807 -0.812 . . . . 1.45 108.807 178.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.29 -44.4 97.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.243 -0.89 . . . . 0.55 109.514 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.472 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -55.9 -58.61 7.17 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.721 -0.672 . . . . 0.63 111.337 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.97 -41.06 82.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.777 0.658 . . . . 2.46 112.777 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -67.67 -49.39 63.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.956 0.408 . . . . 1.39 111.434 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -24.86 66.78 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 112.382 0.512 . . . . 0.69 112.382 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.0 46.42 5.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 119.981 -1.104 . . . . 1.09 111.572 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 29.3 m -142.54 169.76 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 109.042 -0.725 . . . . 0.62 109.042 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -72.51 158.07 36.41 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 108.129 -1.063 . . . . 1.31 108.129 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -45.72 92.52 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 110.298 -0.26 . . . . 1.58 110.298 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -56.08 -34.18 65.74 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.157 0.503 . . . . 0.89 110.87 176.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.6 m -55.43 -37.56 67.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.126 -0.943 . . . . 0.64 109.916 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.633 HG11 ' HG ' ' B' ' 6' ' ' LEU . 16.8 t -68.6 -50.09 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.114 -0.948 . . . . 1.17 110.437 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 40.4 m -56.79 -45.19 82.33 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.165 -1.05 . . . . 1.13 108.165 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -48.92 -40.27 29.43 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 113.851 -1.522 . . . . 2.87 112.026 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.16 -43.8 43.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.425 0.631 . . . . 0.86 110.16 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 20' ' ' VAL . 50.7 t -57.29 -50.99 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.03 -0.986 . . . . 1.03 112.137 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -66.28 -79.47 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 122.126 0.965 . . . . 1.25 111.223 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -168.81 85.96 0.17 Allowed 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 113.933 -1.485 . . . . 3.75 109.448 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.81 141.69 26.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 2.36 110.843 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 29.1 t -137.33 -71.46 0.44 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.564 -0.902 . . . . 1.96 108.564 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -81.43 47.32 1.03 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.295 -0.866 . . . . 1.34 109.315 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -130.54 148.43 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 1.1 111.053 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.36 143.03 30.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.918 -0.583 . . . . 0.98 109.515 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.18 -45.02 68.35 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.316 0.385 . . . . 1.12 111.426 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' B' ' 34' ' ' THR . 7.3 ttpp -51.76 -56.85 11.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.964 -0.562 . . . . 3.25 110.816 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.459 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.4 OUTLIER -62.01 -35.72 79.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.898 -0.592 . . . . 0.77 112.002 -179.769 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -64.32 -48.34 75.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.8 -0.636 . . . . 3.59 111.161 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -72.04 -28.06 63.12 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.88 -0.6 . . . . 1.96 110.959 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -66.31 -41.24 89.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 1.91 110.561 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 34' ' ' THR . 99.7 t -65.63 -42.57 93.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.142 -0.481 . . . . 0.62 110.504 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 42' ' ' MET . 8.8 mt-10 -69.72 -32.18 70.6 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.534 -0.467 . . . . 1.68 110.946 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.8 -39.58 87.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.342 0.591 . . . . 0.77 109.604 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.412 ' O ' HD12 ' B' ' 45' ' ' LEU . . . -60.13 -30.95 69.63 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.651 -0.704 . . . . 0.65 110.179 178.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' B' ' 39' ' ' GLU . 45.2 mtt -63.14 -21.69 66.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.054 -0.975 . . . . 0.71 110.022 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.59 -47.63 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.744 -0.662 . . . . 0.9 110.639 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -50.66 -60.4 3.07 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.855 0.836 . . . . 1.58 112.252 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.5 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -80.4 -1.17 40.21 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 113.981 -1.463 . . . . 1.14 112.34 -177.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.09 47.43 11.92 Favored 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 109.599 -0.519 . . . . 1.24 109.599 -176.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.713 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.7 t80 -59.71 121.82 12.6 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 116.015 -0.539 . . . . 1.46 110.351 -178.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.5 mm -128.66 103.51 19.44 Favored Pre-proline 0 N--CA 1.438 -1.03 0 N-CA-C 103.695 -2.706 . . . . 1.34 103.695 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.439 ' HB3' ' CD ' ' B' ' 54' ' ' GLN . 0.5 OUTLIER -30.73 122.48 0.07 OUTLIER 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 124.871 3.714 . . . . 0.72 114.391 -177.453 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -56.49 91.66 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.364 -0.835 . . . . 0.85 110.962 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -49.43 -34.65 17.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.393 -0.821 . . . . 4.55 112.791 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 56.6 m -66.95 -62.93 1.19 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.187 0.518 . . . . 0.73 111.645 -178.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.39 67.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.592 -0.731 . . . . 0.64 112.475 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.439 ' CD ' ' HB3' ' B' ' 49' ' ' PRO . 5.7 mt-30 -64.48 -34.24 77.76 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.653 -0.419 . . . . 1.04 110.824 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -46.71 78.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.094 -1.076 . . . . 2.45 108.094 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 53' ' ' ALA . 4.8 mp -57.43 -50.81 71.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.191 -1.368 . . . . 0.65 111.102 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -5.39 35.91 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.369 -0.378 . . . . 1.07 111.605 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.371 0 C-N-CA 121.151 -0.547 . . . . 1.6 112.72 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 N--CA 1.448 -1.148 0 N-CA-C 108.845 -1.252 . . . . 1.9 108.845 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.675 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 69.0 t -116.75 176.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 115.501 -0.772 . . . . 0.99 109.827 -176.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 9' ' ' VAL . 26.8 p -133.25 164.53 26.87 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.078 -0.712 . . . . 0.72 109.078 -178.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.19 -16.62 62.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.091 0.472 . . . . 0.66 110.798 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -78.42 -39.58 38.4 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.639 -0.709 . . . . 0.68 110.331 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.22 -35.2 79.8 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.843 0.83 . . . . 1.86 109.511 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 5' ' ' THR . 24.0 t -67.02 -42.84 89.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 113.417 -1.72 . . . . 0.66 108.816 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -62.49 -41.41 98.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.326 -0.852 . . . . 0.65 110.933 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.87 -51.86 59.73 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.786 -0.643 . . . . 2.41 111.315 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 61.4 t80 -69.28 -24.1 63.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.46 -0.336 . . . . 1.68 111.286 -178.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -86.57 -25.69 24.87 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-O 121.304 0.573 . . . . 0.71 109.807 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.48 40.3 13.26 Favored Glycine 0 CA--C 1.503 -0.708 0 N-CA-C 110.042 -1.223 . . . . 0.68 110.042 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.4 m -133.22 -176.95 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 114.79 -0.705 . . . . 0.62 109.905 -177.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -91.05 154.43 19.41 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.435 -0.95 . . . . 1.03 108.435 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.454 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 17.7 p90 -55.66 -41.79 74.15 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.676 -0.81 . . . . 1.38 110.833 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -62.96 -24.62 67.97 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.322 -0.399 . . . . 2.08 110.981 177.218 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 23' ' ' VAL . 28.5 m -67.84 -40.66 83.7 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.455 -0.942 . . . . 0.61 108.455 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 24' ' ' VAL . 78.3 t -64.66 -54.05 34.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.546 -1.206 . . . . 0.65 110.99 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.6 t -60.34 -27.89 67.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.354 -0.839 . . . . 1.22 110.844 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 4.4 ttp180 -73.15 -27.53 61.71 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.242 -0.651 . . . . 2.65 109.242 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 19' ' ' THR . 53.1 t -82.39 -40.67 17.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.435 -0.802 . . . . 0.92 110.204 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 20' ' ' VAL . 12.3 t -66.65 -55.74 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.634 -0.712 . . . . 0.94 112.359 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -77.81 -26.08 49.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 113.874 1.064 . . . . 1.24 113.874 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 33.3 mt-30 -137.34 -113.39 0.17 Allowed 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 119.806 -0.757 . . . . 4.46 111.233 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 156.73 -32.67 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 107.581 -1.266 . . . . 2.66 107.581 -177.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 p -69.33 152.8 44.55 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.353 -1.294 . . . . 2.08 108.085 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 69.42 23.83 5.97 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.494 -0.928 . . . . 1.63 108.494 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.9 t -144.18 136.78 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 114.601 -1.182 . . . . 1.05 109.037 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.447 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 58.3 m -73.95 145.32 44.78 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.422 -1.263 . . . . 1.29 109.55 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.97 -39.25 71.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.435 -0.348 . . . . 1.09 110.503 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -57.57 -41.53 81.26 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.286 0.565 . . . . 3.08 110.772 179.526 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -75.45 -41.24 56.21 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.679 0.622 . . . . 0.98 112.679 -179.356 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -56.35 -48.64 76.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.117 0.414 . . . . 3.63 112.117 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 2.5 mt-10 -70.51 -30.61 67.42 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.807 -0.633 . . . . 1.72 111.965 -177.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 11.5 ptpt -79.4 -25.62 42.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.293 0.568 . . . . 1.44 110.369 -177.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.681 HG11 ' HA ' ' A' ' 20' ' ' VAL . 69.1 t -83.41 -40.69 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.465 -0.789 . . . . 0.68 109.358 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -65.38 -27.13 68.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.433 -0.803 . . . . 1.7 109.699 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.605 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.72 -38.47 62.29 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.718 -0.674 . . . . 0.78 110.385 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.12 91.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.937 -0.574 . . . . 0.79 110.817 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.491 ' HE3' HG12 ' A' ' 38' ' ' VAL . 30.7 mtt -61.26 -30.53 70.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.887 -0.597 . . . . 0.87 111.515 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.18 -35.91 30.82 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.668 0.746 . . . . 0.93 109.71 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 25.9 mm-40 -61.61 -59.34 5.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.52 -1.218 . . . . 1.55 111.523 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -82.1 -12.59 58.14 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.778 -1.556 . . . . 1.79 113.077 -178.421 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 68.47 63.54 0.34 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.485 0.659 . . . . 2.2 110.487 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.675 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.4 t80 -83.69 124.42 30.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.804 -0.635 . . . . 1.38 110.667 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.57 112.51 51.25 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.728 -0.471 . . . . 1.39 109.728 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -53.5 114.88 1.96 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.709 2.273 . . . . 0.78 111.951 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.577 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 35.3 m-20 -73.06 100.74 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.466 -0.788 . . . . 0.69 111.262 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.641 ' HD3' ' OE1' ' A' ' 54' ' ' GLN . 32.2 mmt180 -58.98 -31.67 68.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.908 -1.042 . . . . 4.2 112.139 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -40.82 66.44 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 109.736 -0.468 . . . . 0.7 109.736 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.87 -47.0 82.43 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.84 -0.8 . . . . 0.53 108.84 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.641 ' OE1' ' HD3' ' A' ' 51' ' ' ARG . 53.9 mt-30 -56.22 -47.86 77.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.27 -0.877 . . . . 1.67 109.938 177.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -61.05 -32.86 72.48 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.154 -0.475 . . . . 2.66 110.929 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.25 -52.97 13.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.094 -0.503 . . . . 0.61 111.771 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.23 -17.54 60.31 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.617 0.599 . . . . 0.85 112.617 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.699 0 C-N-CA 120.239 -0.981 . . . . 1.86 113.079 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo . . . . . 0 N--CA 1.452 -0.969 0 N-CA-C 110.372 -0.665 . . . . 1.75 110.372 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.666 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 86.6 t -114.93 163.62 12.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 CA-C-N 115.558 -0.746 . . . . 0.83 109.752 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.461 ' N ' HG12 ' B' ' 4' ' ' VAL . 17.2 p -128.47 154.96 45.54 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.211 -0.662 . . . . 0.68 109.211 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.44 HD11 HG12 ' B' ' 20' ' ' VAL . 2.0 tt -54.08 -24.88 19.07 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 121.785 -0.572 . . . . 0.66 111.842 176.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.47 ' CE1' ' CE1' ' B' ' 17' ' ' TYR . 41.0 m-85 -64.06 -35.63 81.38 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.05 -0.977 . . . . 1.22 110.387 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.55 -36.73 76.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.274 -0.876 . . . . 1.45 109.781 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.543 ' HA ' HD23 ' B' ' 45' ' ' LEU . 47.3 t -68.22 -48.38 73.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.395 -0.821 . . . . 0.55 110.622 -178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -52.65 62.86 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.548 0.69 . . . . 0.63 110.643 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.48 -55.21 34.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.624 -1.171 . . . . 2.46 111.343 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.566 ' CB ' HD21 ' B' ' 45' ' ' LEU . 39.6 t80 -55.05 -51.54 66.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.228 -0.896 . . . . 1.39 113.05 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.868 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -66.82 -21.1 66.04 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.518 0.562 . . . . 0.69 112.518 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.14 43.78 7.36 Favored Glycine 0 N--CA 1.437 -1.293 0 C-N-CA 120.581 -0.819 . . . . 1.09 111.615 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.412 ' HB ' HG21 ' B' ' 19' ' ' THR . 17.2 m -137.32 166.25 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.229 0 N-CA-C 108.191 -1.04 . . . . 0.62 108.191 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 63.9 m -78.98 166.37 22.43 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 119.674 -0.81 . . . . 1.31 110.647 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.47 ' CE1' ' CE1' ' B' ' 7' ' ' TYR . 19.8 t80 -52.65 -54.6 31.11 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.161 0.984 . . . . 1.58 111.186 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -57.41 -31.17 65.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.986 -1.006 . . . . 0.89 112.116 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.412 HG21 ' HB ' ' B' ' 15' ' ' VAL . 2.6 m -59.22 -46.36 88.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.189 0.995 . . . . 0.64 109.778 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.44 HG12 HD11 ' B' ' 6' ' ' LEU . 58.5 t -72.9 -48.84 43.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 113.847 -1.524 . . . . 1.17 110.606 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -61.29 -18.67 59.66 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 113.345 0.869 . . . . 1.13 113.345 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -92.1 -20.36 21.35 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 121.049 1.75 . . . . 2.87 107.749 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 19' ' ' THR . 53.0 t -75.72 -38.65 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 N-CA-C 108.333 -0.988 . . . . 0.86 108.333 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.09 -27.93 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 CA-C-N 114.899 -1.046 . . . . 1.03 108.457 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -83.65 -16.2 45.99 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.991 -0.549 . . . . 1.25 110.237 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 67.81 32.81 5.11 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.483 -0.78 . . . . 3.75 109.973 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.94 173.42 12.18 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.753 -0.658 . . . . 2.36 111.438 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 3.9 p -95.72 -179.09 4.61 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.899 -0.591 . . . . 1.96 110.429 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' B' ' 28' ' ' SER . 18.5 m170 69.33 43.29 1.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.224 0.609 . . . . 1.34 111.074 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.5 132.96 45.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.612 -0.722 . . . . 1.1 109.092 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.648 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 70.1 m -70.13 152.49 44.26 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.928 -0.578 . . . . 0.98 110.56 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.1 73.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 1.12 111.234 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -53.75 -54.16 42.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.17 0.509 . . . . 3.25 110.99 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.648 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.3 OUTLIER -54.0 -38.85 65.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.405 -0.816 . . . . 0.77 112.539 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -65.54 -48.76 71.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.118 0.485 . . . . 3.59 110.468 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.13 -32.25 72.4 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.908 -1.042 . . . . 1.96 111.657 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.868 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 12.5 tppt? -62.12 -40.28 95.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.749 -0.66 . . . . 1.91 110.241 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 34' ' ' THR . 59.7 t -73.03 -38.36 55.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.376 -0.829 . . . . 0.62 111.233 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -64.95 -33.91 77.16 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.425 0.631 . . . . 1.68 109.746 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.77 47.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.226 -0.897 . . . . 0.77 110.631 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.429 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -55.0 -29.32 57.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.041 -0.981 . . . . 0.65 113.248 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.505 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 58.4 mtt -65.0 -21.85 66.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.662 -0.699 . . . . 0.71 109.879 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.63 -49.71 7.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.351 -0.841 . . . . 0.9 110.712 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -53.26 60.33 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.644 0.735 . . . . 1.58 112.06 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.571 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -67.67 -19.43 65.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.315 -0.857 . . . . 1.14 111.386 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.544 ' O ' HG12 ' B' ' 48' ' ' ILE . 1.0 OUTLIER 65.84 43.54 3.08 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.047 -1.464 . . . . 1.24 107.047 -176.006 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.666 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.0 t80 -51.49 121.07 5.79 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 114.376 -1.284 . . . . 1.46 110.353 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.544 HG12 ' O ' ' B' ' 46' ' ' ASN . 34.1 mm -134.41 93.92 18.26 Favored Pre-proline 0 N--CA 1.435 -1.177 0 N-CA-C 103.864 -2.643 . . . . 1.34 103.864 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.413 ' HB3' ' CD ' ' B' ' 54' ' ' GLN . 1.0 OUTLIER -29.56 124.78 0.06 OUTLIER 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 124.842 3.695 . . . . 0.72 115.511 -176.512 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -59.41 85.01 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.565 -0.743 . . . . 0.85 109.683 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -53.42 -21.74 6.52 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.481 0.919 . . . . 4.55 113.481 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.72 -62.1 1.57 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.339 0.59 . . . . 0.73 109.979 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.15 84.69 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.588 -0.733 . . . . 0.64 110.439 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.413 ' CD ' ' HB3' ' B' ' 49' ' ' PRO . 6.8 mt-30 -63.46 -29.24 70.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.251 -0.886 . . . . 1.04 112.093 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -82.45 -21.26 35.7 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.921 -0.77 . . . . 2.45 108.921 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tp -81.99 -40.48 22.09 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.263 -0.881 . . . . 0.65 109.785 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.55 -4.31 58.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.588 -0.278 . . . . 1.07 111.05 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.505 0 CA-C-O 119.439 -0.645 . . . . 1.6 114.023 -179.714 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo . . . . . 0 N--CA 1.451 -1.01 0 CA-C-O 121.433 0.514 . . . . 1.9 112.74 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 48.4 t -116.36 175.75 2.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 107.211 -1.403 . . . . 0.99 107.211 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.2 p -133.35 163.07 30.16 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.356 -0.609 . . . . 0.72 109.356 -178.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.469 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -67.76 -17.08 64.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.388 -0.597 . . . . 0.66 109.388 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -76.49 -38.65 54.95 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.799 -0.637 . . . . 0.68 109.746 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.91 -40.95 95.06 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 122.489 1.138 . . . . 1.86 108.099 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 5' ' ' THR . 18.2 t -66.88 -45.96 86.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 113.259 -1.791 . . . . 0.66 110.525 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.43 -32.9 71.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.227 -0.897 . . . . 0.65 110.106 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -75.89 -46.82 28.08 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.643 -0.708 . . . . 2.41 109.783 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.591 ' CD2' HD13 ' A' ' 45' ' ' LEU . 2.2 t80 -62.09 -33.32 74.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.463 -0.79 . . . . 1.68 110.997 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.16 -19.98 24.81 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.811 -1.086 . . . . 0.71 111.179 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.32 45.89 22.76 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.448 -1.061 . . . . 0.68 110.448 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -137.64 -167.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 123.354 0.661 . . . . 0.62 109.813 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -102.11 156.93 17.24 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.308 -0.627 . . . . 1.03 109.308 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.469 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.4 p90 -56.17 -43.55 78.46 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.122 -0.631 . . . . 1.38 110.882 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 11.7 tp60 -60.67 -26.87 67.41 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 110.344 -0.243 . . . . 2.08 110.344 176.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.2 m -65.6 -48.22 73.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.588 -0.893 . . . . 0.61 108.588 178.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.627 ' O ' HG23 ' A' ' 24' ' ' VAL . 69.7 t -59.83 -54.57 32.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.495 -1.23 . . . . 0.65 110.929 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.8 t -61.28 -23.32 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.767 0.318 . . . . 1.22 110.65 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 45.0 ttm-85 -79.78 -24.23 41.64 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.481 -0.563 . . . . 2.65 109.481 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 19' ' ' THR . 70.1 t -85.99 -37.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.177 0.513 . . . . 0.92 110.362 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 20' ' ' VAL . 36.9 t -71.08 -49.12 51.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.408 -0.815 . . . . 0.94 112.62 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -103.85 -42.09 5.7 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 116.014 1.857 . . . . 1.24 116.014 -175.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -130.83 64.76 1.56 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.766 -0.774 . . . . 4.46 112.741 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 116.93 7.44 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.721 0.772 . . . . 2.66 111.045 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 t -164.51 -95.13 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.064 -1.425 . . . . 2.08 109.719 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -65.21 53.89 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.982 0.913 . . . . 1.63 112.047 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.426 HG11 HG22 ' A' ' 23' ' ' VAL . 76.9 t -137.96 120.3 18.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.812 -0.81 . . . . 1.05 108.812 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.0 m -54.5 135.23 46.06 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.417 -0.81 . . . . 1.29 110.902 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -53.77 -37.79 63.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.973 0.416 . . . . 1.09 111.269 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -57.66 -41.33 81.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.743 -0.662 . . . . 3.08 111.789 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -84.79 -40.43 17.22 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.392 -0.367 . . . . 0.98 110.808 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -52.57 -52.72 53.68 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 122.807 0.443 . . . . 3.63 111.898 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 21.5 mt-10 -72.6 -16.47 61.73 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.424 -0.807 . . . . 1.72 111.054 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -86.3 -29.4 23.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.258 0.551 . . . . 1.44 110.208 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' A' ' 20' ' ' VAL . 79.8 t -80.28 -39.54 19.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 109.358 -0.608 . . . . 0.68 109.358 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.6 -31.51 72.7 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.552 -0.749 . . . . 1.7 109.439 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -73.81 -34.74 64.73 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.167 -0.924 . . . . 0.78 109.69 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.676 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -61.75 -44.79 96.22 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.79 110.535 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.409 ' CE ' HG22 ' A' ' 24' ' ' VAL . 34.5 mtt -55.9 -32.63 63.92 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.683 -0.69 . . . . 0.87 112.209 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.97 -28.2 49.36 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.472 0.653 . . . . 0.93 110.56 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 24.4 mm-40 -68.79 -59.45 3.08 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.629 -1.169 . . . . 1.55 112.368 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.718 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.27 -0.73 57.76 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.898 -1.046 . . . . 1.79 112.018 -178.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' HD12 ' A' ' 48' ' ' ILE . 8.2 m120 63.12 66.58 0.72 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.238 0.542 . . . . 2.2 111.36 178.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.588 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.0 t80 -82.44 120.56 25.61 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.051 -0.522 . . . . 1.38 111.608 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 46' ' ' ASN . 3.9 mp -114.46 112.84 45.84 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 107.238 -1.393 . . . . 1.39 107.238 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.26 122.19 11.27 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.342 2.028 . . . . 0.78 112.577 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -67.91 101.12 1.05 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.846 -0.615 . . . . 0.69 111.509 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 27.0 mmt180 -63.69 -23.47 67.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.803 -0.635 . . . . 4.2 111.321 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -38.63 65.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.017 0.437 . . . . 0.7 110.153 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -73.84 -32.2 63.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.53 -0.915 . . . . 0.53 108.53 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -64.37 -35.97 82.61 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.635 -1.166 . . . . 1.67 109.599 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 28.4 mt-30 -73.51 -22.17 60.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.529 . . . . 2.66 109.767 178.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 56' ' ' LEU . 6.9 tp -80.7 -52.9 7.02 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.699 -0.682 . . . . 0.61 110.345 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.67 -14.58 62.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.448 -0.796 . . . . 0.85 109.657 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.988 0 N-CA-C 109.985 -1.246 . . . . 1.86 109.985 178.167 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo . . . . . 0 N--CA 1.46 -0.45 0 CA-C-O 121.314 0.464 . . . . 1.75 111.128 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.715 HG21 ' O ' ' B' ' 45' ' ' LEU . 39.3 t -88.67 160.16 2.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.814 -0.63 . . . . 0.83 109.773 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 69.9 p -136.74 161.88 34.73 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 119.362 -0.351 . . . . 0.68 110.642 -178.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.581 ' HG ' HG11 ' B' ' 20' ' ' VAL . 1.7 tt -49.51 -30.97 9.23 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 123.867 0.729 . . . . 0.66 111.463 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -69.2 -35.84 76.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.87 0.367 . . . . 1.22 110.482 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.75 -39.1 87.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.086 -0.709 . . . . 1.45 109.086 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.66 -43.89 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 115.364 -0.834 . . . . 0.55 110.463 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.677 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.8 -51.13 70.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.63 111.194 178.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -59.85 -43.88 94.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.168 -0.924 . . . . 2.46 112.813 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.95 -54.02 31.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.1 0.476 . . . . 1.39 112.227 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.731 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -64.01 -25.19 68.01 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.659 -0.7 . . . . 0.69 112.844 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.6 49.62 6.52 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.005 -1.093 . . . . 1.09 111.363 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.32 174.74 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 N-CA-C 108.45 -0.945 . . . . 0.62 108.45 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.0 p -74.72 153.92 38.63 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 107.459 -1.311 . . . . 1.31 107.459 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -16.08 63.79 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 121.147 -0.221 . . . . 1.58 110.964 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.4 ' O ' ' HG3' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -85.0 -33.03 22.64 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.28 -1.008 . . . . 0.89 108.28 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 39.0 m -53.78 -34.7 59.89 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.73 -1.123 . . . . 0.64 110.783 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.677 HG21 ' HB2' ' B' ' 10' ' ' ALA . 2.8 t -66.28 -51.4 59.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.048 -0.978 . . . . 1.17 108.853 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.3 m -57.06 -46.53 82.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.979 -0.749 . . . . 1.13 108.979 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' B' ' 18' ' ' GLN . 21.5 mtt-85 -49.99 -40.96 45.91 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.194 -0.912 . . . . 2.87 112.541 178.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.9 t -78.79 -31.51 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 120.993 0.425 . . . . 0.86 110.751 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.2 t -74.71 -28.95 22.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.274 0.559 . . . . 1.03 111.108 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -81.73 -85.02 0.11 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.78 0.8 . . . . 1.25 110.626 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -153.38 90.79 1.44 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.364 -1.289 . . . . 3.75 110.369 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.59 128.13 34.54 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.193 -0.669 . . . . 2.36 109.193 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.8 m -153.69 -26.08 0.14 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.577 0.703 . . . . 1.96 109.867 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -120.84 31.45 6.4 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.19 -0.67 . . . . 1.34 109.19 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -122.91 139.29 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 115.13 -0.941 . . . . 1.1 110.013 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.54 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 62.0 m -66.9 153.98 42.16 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.623 -1.171 . . . . 0.98 110.845 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -48.01 78.2 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.141 -0.482 . . . . 1.12 110.635 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -56.78 -54.41 46.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.176 0.512 . . . . 3.25 111.692 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.54 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -56.61 -38.58 72.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.873 -1.058 . . . . 0.77 111.722 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -68.44 -43.23 77.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.322 0.582 . . . . 3.59 109.845 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.42 -31.3 72.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.242 -0.89 . . . . 1.96 111.841 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.731 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 17.0 tppt? -66.61 -44.28 82.5 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.908 -0.587 . . . . 1.91 111.561 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.585 ' O ' ' HG3' ' B' ' 42' ' ' MET . 48.5 t -71.1 -38.47 71.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.371 -0.377 . . . . 0.62 111.337 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -67.39 -37.27 82.86 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.63 -0.507 . . . . 1.68 109.63 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.22 -46.76 63.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.866 -0.606 . . . . 0.77 110.649 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.563 ' O ' HD12 ' B' ' 45' ' ' LEU . . . -53.57 -26.72 22.75 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.667 -0.697 . . . . 0.65 112.495 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 37.4 mtt -68.61 -19.64 64.45 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.053 -0.521 . . . . 0.71 109.953 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.53 -55.31 3.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.896 -0.593 . . . . 0.9 112.033 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.55 -53.29 48.25 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.65 0.738 . . . . 1.58 111.497 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.715 ' O ' HG21 ' B' ' 4' ' ' VAL . 2.1 mt -77.36 -7.68 56.47 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.149 -1.387 . . . . 1.14 113.573 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.447 ' O ' HG12 ' B' ' 48' ' ' ILE . 3.4 t30 57.38 49.09 13.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.422 -0.584 . . . . 1.24 109.422 -177.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.635 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.0 t80 -55.83 125.34 20.91 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.726 -0.67 . . . . 1.46 109.82 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.447 HG12 ' O ' ' B' ' 46' ' ' ASN . 20.1 mm -131.08 98.67 18.63 Favored Pre-proline 0 N--CA 1.441 -0.88 0 N-CA-C 104.184 -2.525 . . . . 1.34 104.184 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -35.37 123.88 0.23 Allowed 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.863 3.042 . . . . 0.72 115.491 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.667 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 39.3 t-20 -65.02 75.88 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.413 -0.812 . . . . 0.85 109.777 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -50.59 -19.3 0.87 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.414 0.894 . . . . 4.55 113.414 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -75.67 -60.73 2.18 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 120.485 -0.486 . . . . 0.73 111.004 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.87 -25.16 63.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.101 -0.5 . . . . 0.64 110.097 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.667 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 30.9 mt-30 -65.85 -36.74 84.3 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.792 -0.64 . . . . 1.04 111.079 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -76.17 -27.56 57.0 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.424 0.631 . . . . 2.45 109.617 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -72.19 -45.24 61.16 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.286 -0.87 . . . . 0.65 109.18 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.6 0.79 11.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.591 -0.731 . . . . 1.07 112.868 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.87 0 C-N-CA 120.674 -0.774 . . . . 1.6 111.87 179.738 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 CA-C-O 121.352 0.48 . . . . 1.9 111.292 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.555 HG12 ' H ' ' A' ' 5' ' ' THR . 5.6 t -111.87 173.71 2.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 115.025 -0.989 . . . . 0.99 108.983 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.555 ' H ' HG12 ' A' ' 4' ' ' VAL . 9.9 p -133.6 162.5 31.75 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.048 -0.723 . . . . 0.72 109.048 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -67.69 -14.82 63.27 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.223 -0.658 . . . . 0.66 109.223 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -76.36 -39.98 52.4 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.729 -0.669 . . . . 0.68 109.899 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.58 -38.49 90.31 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.123 -1.065 . . . . 1.86 108.123 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 5' ' ' THR . 34.2 t -67.38 -47.98 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 113.11 -1.859 . . . . 0.66 109.086 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.75 90.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.436 -0.802 . . . . 0.65 111.41 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.91 -46.61 71.08 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 120.802 0.334 . . . . 2.41 111.586 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.444 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 25.3 t80 -67.15 -27.45 67.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.096 0.474 . . . . 1.68 111.48 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.08 -19.39 24.4 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 121.161 0.505 . . . . 0.71 109.84 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.8 47.7 13.97 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.524 -1.03 . . . . 0.68 110.524 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.25 -171.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.862 -0.669 . . . . 0.62 109.855 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.1 m -100.25 154.83 18.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.459 -0.571 . . . . 1.03 109.459 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -54.35 -43.22 71.08 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.19 -0.604 . . . . 1.38 110.608 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -60.25 -29.8 69.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 110.025 -0.361 . . . . 2.08 110.025 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 23' ' ' VAL . 23.1 m -68.41 -44.82 74.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.425 -0.583 . . . . 0.61 109.425 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 24' ' ' VAL . 65.1 t -60.12 -51.14 76.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.978 -1.01 . . . . 0.65 110.17 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 t -60.52 -26.58 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 1.22 111.078 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mtm-85 -75.68 -26.81 57.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.923 -0.769 . . . . 2.65 108.923 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 19' ' ' THR . 95.9 t -84.12 -43.27 17.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.183 0.516 . . . . 0.92 109.976 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 20' ' ' VAL . 23.9 t -63.47 -47.87 89.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.376 -0.829 . . . . 0.94 113.145 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -106.49 -7.36 17.58 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.704 1.372 . . . . 1.24 114.704 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 25.3 mm-40 -135.44 -128.88 0.15 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.461 1.028 . . . . 4.46 110.013 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 167.06 -39.07 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.742 1.277 . . . . 2.66 111.222 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.2 t -71.05 156.53 39.51 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.945 -0.57 . . . . 2.08 110.727 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.3 m170 65.52 23.12 11.83 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 121.867 0.842 . . . . 1.63 109.11 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 28' ' ' SER . 10.7 t -136.68 125.5 36.22 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 114.506 -1.224 . . . . 1.05 109.83 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.465 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 51.9 m -65.31 139.77 58.62 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.374 -0.83 . . . . 1.29 109.086 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.03 -43.58 77.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.123 -0.49 . . . . 1.09 111.637 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 11.1 mttp -57.11 -37.47 72.0 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.251 0.548 . . . . 3.08 110.893 -178.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.605 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -78.25 -44.14 26.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.572 -0.74 . . . . 0.98 111.473 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -53.62 -49.71 67.25 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.579 0.585 . . . . 3.63 112.579 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 27.4 mt-10 -68.86 -23.14 64.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.366 -0.379 . . . . 1.72 111.853 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 34' ' ' THR . 8.9 ptpt -86.6 -21.62 26.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.956 0.408 . . . . 1.44 110.889 -178.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG11 ' HA ' ' A' ' 20' ' ' VAL . 76.7 t -83.64 -40.12 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.536 -0.913 . . . . 0.68 108.536 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.06 -32.79 72.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.849 0.833 . . . . 1.7 109.404 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -69.79 -36.98 76.15 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.394 -1.275 . . . . 0.78 110.875 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.22 90.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.79 110.364 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.437 ' CE ' HG22 ' A' ' 24' ' ' VAL . 25.1 mtt -67.54 -24.2 65.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.046 -0.525 . . . . 0.87 111.561 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.56 33.25 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.798 0.809 . . . . 0.93 109.045 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 16.1 mm-40 -70.59 -58.98 3.11 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.308 -1.314 . . . . 1.55 111.479 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.413 ' O ' HG21 ' A' ' 4' ' ' VAL . 1.5 mt -81.64 -9.73 59.59 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.799 -1.546 . . . . 1.79 113.123 -176.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.51 ' O ' HD12 ' A' ' 48' ' ' ILE . 67.3 m-20 64.04 57.09 1.33 Allowed 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.625 -0.509 . . . . 2.2 109.625 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.479 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.6 t80 -78.53 125.61 29.6 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.782 -0.644 . . . . 1.38 111.398 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 46' ' ' ASN . 3.5 mp -114.84 115.59 43.54 Favored Pre-proline 0 C--N 1.316 -0.883 0 N-CA-C 107.057 -1.46 . . . . 1.39 107.057 176.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.03 125.98 20.87 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.637 2.225 . . . . 0.78 111.509 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -73.36 96.58 2.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.771 0.32 . . . . 0.69 111.666 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -60.25 -18.16 46.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 4.2 110.924 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -77.79 -48.43 16.57 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.603 -0.518 . . . . 0.7 109.603 -179.553 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.834 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -70.1 -35.63 74.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.587 -0.894 . . . . 0.53 108.587 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -58.65 -34.92 71.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.774 -1.103 . . . . 1.67 110.12 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 52' ' ' CYS . 1.5 pt20 -80.42 -29.73 37.65 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.753 -0.462 . . . . 2.66 109.753 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.44 HD22 HD22 ' B' ' 56' ' ' LEU . 9.8 tp -65.54 -51.9 56.42 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.656 0.265 . . . . 0.61 110.945 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.4 -17.95 55.7 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.396 0.617 . . . . 0.85 110.303 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.073 0 CA-C-N 115.075 -0.966 . . . . 1.86 111.393 -179.86 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo . . . . . 0 N--CA 1.461 -0.414 0 N-CA-C 110.379 -0.662 . . . . 1.75 110.379 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.602 HG21 ' O ' ' B' ' 45' ' ' LEU . 85.1 t -81.65 161.97 3.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.825 -0.805 . . . . 0.83 108.825 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.455 ' N ' HG12 ' B' ' 4' ' ' VAL . 15.1 p -135.36 163.71 29.4 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 121.199 -0.2 . . . . 0.68 111.182 -178.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.481 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 0.5 OUTLIER -53.3 -31.68 45.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.73 0.644 . . . . 0.66 110.207 175.718 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -69.7 -34.66 74.22 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 116.424 -0.353 . . . . 1.22 111.296 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.32 -36.67 81.95 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 108.992 -0.744 . . . . 1.45 108.992 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.652 ' HA ' HD23 ' B' ' 45' ' ' LEU . 31.4 t -67.21 -46.19 84.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.511 -0.768 . . . . 0.55 111.172 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.554 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.1 -51.79 66.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.702 -0.681 . . . . 0.63 111.125 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.65 -41.04 80.64 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.273 -0.876 . . . . 2.46 112.283 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.444 ' HB2' HD21 ' B' ' 45' ' ' LEU . 27.2 t80 -72.55 -45.92 56.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.525 0.565 . . . . 1.39 112.525 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.558 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -69.48 -25.18 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.286 0.476 . . . . 0.69 112.286 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.43 45.82 6.75 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.035 -1.078 . . . . 1.09 111.702 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.76 171.08 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 N-CA-C 108.962 -0.755 . . . . 0.62 108.962 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' B' ' 19' ' ' THR . 69.8 m -75.54 153.75 37.25 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 119.605 -0.838 . . . . 1.31 109.071 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.443 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -56.99 -41.89 79.26 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 123.363 0.415 . . . . 1.58 110.863 -178.579 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -29.23 69.33 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.666 0.27 . . . . 0.89 111.626 178.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.493 ' O ' HG23 ' B' ' 23' ' ' VAL . 95.5 m -62.07 -37.82 86.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.739 . . . . 0.64 109.037 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' B' ' 10' ' ' ALA . 4.4 t -67.55 -45.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.251 -0.886 . . . . 1.17 109.598 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 7.9 t -55.05 -51.62 65.74 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.434 -1.321 . . . . 1.13 107.434 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -50.62 -38.19 44.56 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.141 -1.39 . . . . 2.87 112.847 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 19' ' ' THR . 96.1 t -77.39 -39.95 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.497 -0.186 . . . . 0.86 110.497 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.4 -38.74 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 121.302 0.572 . . . . 1.03 110.504 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.13 -10.55 59.85 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.908 -0.587 . . . . 1.25 111.033 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 58.47 39.02 25.49 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.687 0.756 . . . . 3.75 109.403 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.77 171.69 14.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.002 -1.454 . . . . 2.36 112.027 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.8 t -86.29 179.26 6.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.492 -0.776 . . . . 1.96 110.546 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 38.0 m170 66.38 28.59 9.66 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.464 -0.789 . . . . 1.34 110.64 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -121.56 121.39 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 115.704 -0.68 . . . . 1.1 110.619 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 68.0 m -70.68 152.79 43.47 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 116.366 -0.379 . . . . 0.98 110.147 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.21 -51.29 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 1.12 111.916 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -52.16 -59.3 4.54 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.339 0.399 . . . . 3.25 111.138 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.446 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -54.89 -37.53 66.41 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.757 -0.656 . . . . 0.77 111.352 179.322 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' B' ' 35' ' ' ARG . 18.5 ttm-85 -65.45 -52.33 53.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.532 0.682 . . . . 3.59 111.126 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.58 -26.39 63.5 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.277 -0.874 . . . . 1.96 112.099 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.558 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 3.1 tppt? -67.26 -46.33 74.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.572 -0.529 . . . . 1.91 109.572 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' B' ' 42' ' ' MET . 92.3 t -65.9 -37.5 80.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.522 -0.763 . . . . 0.62 111.163 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -69.02 -31.63 70.57 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.018 0.437 . . . . 1.68 110.015 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.16 -49.11 65.91 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.158 0.504 . . . . 0.77 109.82 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.73 -29.83 41.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.958 -1.019 . . . . 0.65 111.24 178.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 67.3 mtt -61.38 -23.81 66.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.494 . . . . 0.71 110.695 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.68 -52.28 5.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 0.9 111.41 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.75 -39.62 81.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.716 0.77 . . . . 1.58 110.776 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.652 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.0 OUTLIER -80.71 -18.52 47.58 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.925 -1.034 . . . . 1.14 112.18 -179.443 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 62.77 39.0 11.33 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.081 -1.452 . . . . 1.24 107.081 -176.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.585 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.9 t80 -56.99 124.48 18.84 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 114.672 -1.149 . . . . 1.46 110.755 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 91.4 mt -133.52 102.04 12.9 Favored Pre-proline 0 N--CA 1.434 -1.23 0 N-CA-C 103.358 -2.831 . . . . 1.34 103.358 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.473 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.6 OUTLIER -28.96 123.36 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 124.734 3.623 . . . . 0.72 115.573 -175.231 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.495 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 54.6 t-20 -62.5 77.8 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 114.617 -1.174 . . . . 0.85 110.683 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -50.39 -27.53 6.51 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.62 -0.718 . . . . 4.55 112.827 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.39 -62.75 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 0.73 110.785 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.91 78.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.371 -0.831 . . . . 0.64 110.889 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 33.4 mt-30 -62.21 -28.8 69.94 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.819 -0.628 . . . . 1.04 112.042 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -83.09 -27.46 30.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.616 -0.513 . . . . 2.45 109.616 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.834 HD11 ' HB2' ' A' ' 53' ' ' ALA . 4.4 mp -70.53 -42.77 70.78 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.891 -1.05 . . . . 0.65 109.688 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.86 4.8 4.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.828 -1.078 . . . . 1.07 113.5 -177.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.453 0 C-N-CA 119.524 -1.322 . . . . 1.6 114.624 178.161 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 N--CA 1.451 -1.018 0 N-CA-C 110.439 -0.639 . . . . 1.9 110.439 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.635 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 26.1 t -100.35 168.9 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 107.271 -1.381 . . . . 0.99 107.271 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 9' ' ' VAL . 11.0 p -135.09 165.17 25.99 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.344 -0.543 . . . . 0.72 109.765 -178.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.434 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.7 pt? -63.32 -17.1 62.18 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.617 -0.72 . . . . 0.66 110.768 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -78.33 -38.53 41.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.568 -0.742 . . . . 0.68 110.397 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -65.37 -34.83 79.23 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 122.099 0.952 . . . . 1.86 108.66 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 5' ' ' THR . 38.2 t -68.32 -44.44 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.798 -1.546 . . . . 0.66 109.779 178.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -64.04 -40.14 95.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.27 -0.877 . . . . 0.65 110.699 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.94 -51.9 54.5 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.969 -0.293 . . . . 2.41 110.712 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.503 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 27.0 t80 -65.04 -24.77 67.57 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.205 0.446 . . . . 1.68 112.205 -177.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.419 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -94.76 -15.66 23.66 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 120.761 -0.376 . . . . 0.71 111.057 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.76 35.65 31.18 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.798 -0.921 . . . . 0.68 110.798 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 35.0 m -131.94 -172.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 114.867 -0.666 . . . . 0.62 110.779 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 m -102.5 152.59 20.96 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.393 -0.821 . . . . 1.03 109.547 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.434 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 34.7 p90 -53.56 -39.57 64.88 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.363 -0.535 . . . . 1.38 110.671 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.85 -34.04 71.12 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.973 0.416 . . . . 2.08 110.194 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -67.96 -43.68 78.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.89 -0.595 . . . . 0.61 109.553 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 24' ' ' VAL . 68.5 t -58.63 -51.05 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.096 -0.956 . . . . 0.65 110.926 177.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 m -64.78 -27.32 68.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.128 -0.487 . . . . 1.22 110.863 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HD3' ' OE1' ' A' ' 26' ' ' GLN . 0.7 OUTLIER -68.35 -33.19 73.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.747 -0.835 . . . . 2.65 108.747 179.077 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.5 t -82.72 -43.92 18.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.508 -0.769 . . . . 0.92 110.684 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 20' ' ' VAL . 61.2 t -63.31 -44.13 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 115.557 -0.747 . . . . 0.94 111.874 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -96.47 -25.21 15.76 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.909 1.078 . . . . 1.24 113.909 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.505 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 6.2 mt-30 -129.38 -120.48 0.23 Allowed 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.853 -0.425 . . . . 4.46 109.853 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 156.95 -33.43 0.0 OUTLIER 'General case' 0 C--O 1.234 0.25 0 O-C-N 125.104 1.502 . . . . 2.66 109.04 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 4.5 t -68.38 147.84 51.53 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.841 -1.072 . . . . 2.08 109.161 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' SER . 50.8 m170 71.79 18.65 5.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.533 0.521 . . . . 1.63 110.677 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.0 t -131.06 130.76 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 109.267 -0.642 . . . . 1.05 109.267 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.5 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 5.4 m -53.56 135.79 39.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.638 0.732 . . . . 1.29 110.574 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.06 -6.67 23.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.292 -0.867 . . . . 1.09 111.256 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -93.65 -47.3 6.87 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 107.683 -1.228 . . . . 3.08 107.683 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -70.37 -33.9 71.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.82 -1.082 . . . . 0.98 111.973 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -52.42 -49.21 64.99 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.286 0.565 . . . . 3.63 111.275 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -18.35 60.84 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.518 -0.764 . . . . 1.72 111.676 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -84.08 -29.23 26.98 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.429 -0.582 . . . . 1.44 109.429 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 34' ' ' THR . 88.8 t -77.62 -42.78 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 N-CA-C 108.496 -0.927 . . . . 0.68 108.496 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.72 -30.9 71.77 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.356 -0.979 . . . . 1.7 108.356 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -70.96 -38.73 72.82 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.989 -1.005 . . . . 0.78 109.954 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.56 -36.27 83.24 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.812 -0.631 . . . . 0.79 110.124 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.497 ' SD ' ' HD2' ' A' ' 47' ' ' TYR . 28.5 mtm -67.31 -23.81 65.68 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.596 -0.729 . . . . 0.87 112.226 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.5 -34.04 21.67 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.601 0.715 . . . . 0.93 109.183 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 52.3 mm-40 -65.54 -56.21 13.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.608 -1.178 . . . . 1.55 111.266 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.495 ' O ' HG21 ' A' ' 4' ' ' VAL . 1.2 mt -81.93 -13.37 57.6 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 113.515 -1.675 . . . . 1.79 112.607 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.424 ' O ' HD13 ' A' ' 48' ' ' ILE . 24.1 m120 67.14 55.03 0.71 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.239 0.542 . . . . 2.2 109.819 -179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.635 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.8 t80 -70.68 124.59 24.63 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.738 -0.664 . . . . 1.38 110.577 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -110.28 117.47 51.34 Favored Pre-proline 0 N--CA 1.444 -0.761 0 N-CA-C 109.583 -0.525 . . . . 1.39 109.583 177.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.65 119.47 6.67 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.488 2.125 . . . . 0.78 111.745 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -80.73 101.39 9.27 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.369 0.604 . . . . 0.69 111.624 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -41.54 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.846 -1.07 . . . . 4.2 111.313 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -41.84 98.65 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 110.096 -0.335 . . . . 0.7 110.096 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.99 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.582 -0.736 . . . . 0.53 110.077 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -58.4 -34.69 71.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.539 -0.755 . . . . 1.67 110.773 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -78.08 -27.92 48.66 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.282 -0.417 . . . . 2.66 109.903 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 tp -74.35 -53.58 9.37 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.12 0.486 . . . . 0.61 110.349 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.32 -15.12 61.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.295 0.85 . . . . 0.85 113.295 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.051 0 C-N-CA 119.802 -1.19 . . . . 1.86 112.705 -178.858 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 C--O 1.236 0.394 0 CA-C-O 120.991 0.33 . . . . 1.75 111.35 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.672 HG21 ' O ' ' B' ' 45' ' ' LEU . 61.4 t -87.39 164.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.421 -0.808 . . . . 0.83 110.929 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.458 ' N ' HG12 ' B' ' 4' ' ' VAL . 18.9 p -133.61 160.42 37.54 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.475 -0.784 . . . . 0.68 109.74 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.496 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 1.7 tt -55.51 -26.09 40.87 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.279 0.561 . . . . 0.66 110.732 177.002 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.24 -36.02 76.75 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.486 -0.779 . . . . 1.22 110.715 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -68.2 -34.88 77.08 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.785 -0.82 . . . . 1.45 108.785 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.501 ' HA ' HD23 ' B' ' 45' ' ' LEU . 60.0 t -68.26 -44.45 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 114.291 -1.322 . . . . 0.55 109.768 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.652 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.44 -48.98 75.88 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.716 -0.675 . . . . 0.63 111.164 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.96 -49.64 75.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.833 -1.076 . . . . 2.46 112.539 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.506 ' CB ' HD21 ' B' ' 45' ' ' LEU . 48.8 t80 -63.53 -46.62 85.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.01 0.374 . . . . 1.39 112.01 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.64 -23.08 64.39 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.938 0.347 . . . . 0.69 111.938 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.2 45.2 10.33 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 119.866 -1.159 . . . . 1.09 111.698 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.1 m -135.71 171.61 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 N-CA-C 107.81 -1.181 . . . . 0.62 107.81 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.5 m -75.18 152.41 38.42 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.112 -0.699 . . . . 1.31 109.112 177.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -41.93 79.19 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.09 -0.337 . . . . 1.58 110.09 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -56.13 -35.51 67.2 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.051 0.453 . . . . 0.89 110.575 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.9 m -59.01 -39.43 81.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.337 -0.847 . . . . 0.64 110.343 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.652 HG21 ' HB2' ' B' ' 10' ' ' ALA . 3.4 t -67.75 -44.41 85.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.329 -0.85 . . . . 1.17 110.754 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 23.8 m -58.13 -44.38 87.76 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 107.326 -1.361 . . . . 1.13 107.326 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -55.0 -40.02 69.68 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 113.975 -1.466 . . . . 2.87 112.2 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.531 HG13 ' HG3' ' B' ' 35' ' ' ARG . 86.4 t -79.96 -35.37 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.297 0.57 . . . . 0.86 110.117 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.21 -29.39 45.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.524 -0.762 . . . . 1.03 110.409 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -99.19 -7.48 26.46 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.387 -0.824 . . . . 1.25 110.554 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 54.48 48.6 20.17 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.684 0.754 . . . . 3.75 108.982 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.63 -178.23 5.76 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.593 -1.185 . . . . 2.36 112.729 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 29.8 p -85.03 179.22 7.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 114.962 -1.017 . . . . 1.96 110.192 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' B' ' 28' ' ' SER . 54.4 m170 69.1 21.67 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.57 0.544 . . . . 1.34 111.386 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.3 t -124.65 132.17 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.86 0.362 . . . . 1.1 110.193 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.408 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 62.4 m -72.69 153.05 41.37 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.071 -0.513 . . . . 0.98 109.784 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.62 55.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.393 0.516 . . . . 1.12 112.393 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 32.9 ttmt -57.34 -58.25 9.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.571 -0.74 . . . . 3.25 111.422 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.558 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -52.45 -33.89 46.27 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.85 0.357 . . . . 0.77 111.493 179.581 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.531 ' HG3' HG13 ' B' ' 23' ' ' VAL . 16.9 ttp180 -71.99 -46.13 58.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.57 0.7 . . . . 3.59 109.608 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.15 -35.58 79.21 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.055 -0.975 . . . . 1.96 111.694 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 52.8 mtpt -63.72 -41.93 98.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.828 0.347 . . . . 1.91 110.577 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 34' ' ' THR . 58.9 t -64.91 -39.64 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.381 -0.372 . . . . 0.62 111.575 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -66.62 -34.4 77.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.978 0.418 . . . . 1.68 110.056 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -47.03 72.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.121 -0.49 . . . . 0.77 110.482 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.436 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -55.03 -27.99 48.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.451 -0.795 . . . . 0.65 111.339 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 55.1 mtt -61.85 -20.91 64.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.901 -0.591 . . . . 0.71 109.872 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.75 -48.79 6.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.799 -0.637 . . . . 0.9 111.571 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -53.7 -52.82 58.84 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 122.135 0.969 . . . . 1.58 111.069 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.672 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -74.17 -17.47 60.91 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.198 -1.365 . . . . 1.14 111.56 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.521 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.5 OUTLIER 63.78 47.14 3.7 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.283 -1.377 . . . . 1.24 107.283 -174.607 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.642 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.5 t80 -52.69 119.35 4.46 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.158 -0.928 . . . . 1.46 111.422 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.521 HG12 ' O ' ' B' ' 46' ' ' ASN . 22.4 mm -129.18 103.54 18.32 Favored Pre-proline 0 N--CA 1.442 -0.874 0 N-CA-C 104.074 -2.565 . . . . 1.34 104.074 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -36.45 127.03 0.42 Allowed 'Trans proline' 0 N--CA 1.476 0.47 0 C-N-CA 123.736 2.957 . . . . 0.72 114.859 -176.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -63.63 85.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.028 -0.987 . . . . 0.85 110.772 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.441 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 16.3 mmt85 -47.89 -29.35 3.24 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.034 1.124 . . . . 4.55 114.034 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 2.6 m -74.24 -55.77 5.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.278 -0.569 . . . . 0.73 110.683 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.17 74.34 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.653 -0.703 . . . . 0.64 110.394 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -66.76 -34.0 76.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.801 -0.636 . . . . 1.04 111.189 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -75.68 -24.82 56.32 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.093 -1.077 . . . . 2.45 108.093 -179.396 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tp -82.77 -43.13 17.11 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.428 -1.26 . . . . 0.65 110.534 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.88 -8.4 58.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.34 0.496 . . . . 1.07 112.34 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 C-N-CA 120.389 -0.91 . . . . 1.6 112.87 -177.74 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 N--CA 1.459 -0.544 0 N-CA-C 110.706 -0.536 . . . . 1.9 110.706 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 68.5 t -122.82 132.64 70.93 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 N-CA-C 108.869 -0.789 . . . . 0.99 108.869 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.2 p -95.86 171.73 8.46 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 113.497 0.925 . . . . 0.72 113.497 -178.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.505 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.2 pt? -66.5 -19.07 65.7 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 114.201 -1.363 . . . . 0.66 109.822 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -76.46 -38.94 54.62 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 115.781 -0.645 . . . . 0.68 109.978 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.488 ' HB2' HG13 ' A' ' 4' ' ' VAL . 15.1 m-20 -64.94 -41.12 95.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.372 -1.344 . . . . 1.86 107.372 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 5' ' ' THR . 42.7 t -62.32 -43.89 98.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 113.466 -1.697 . . . . 0.66 110.421 177.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.431 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -66.84 -33.29 75.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.609 -0.723 . . . . 0.65 110.667 178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.63 -53.56 32.73 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.776 -0.647 . . . . 2.41 110.602 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.542 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 39.7 t80 -68.82 -25.43 64.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.508 0.671 . . . . 1.68 111.494 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.649 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -86.26 -17.53 34.46 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.219 -0.901 . . . . 0.71 109.198 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.99 45.21 93.02 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.681 -1.368 . . . . 0.68 109.681 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.649 HG22 ' HB3' ' A' ' 13' ' ' ALA . 28.9 m -134.04 -167.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 113.955 -1.122 . . . . 0.62 109.102 -178.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 m -102.19 150.74 22.97 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.049 -1.093 . . . . 1.03 108.049 176.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.505 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.2 p90 -55.58 -38.87 69.94 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 123.619 0.574 . . . . 1.38 109.651 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -63.59 -29.92 71.11 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.051 -0.259 . . . . 2.08 110.724 177.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.537 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 98.6 m -67.93 -40.1 83.37 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.304 -0.628 . . . . 0.61 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.671 ' O ' HG23 ' A' ' 24' ' ' VAL . 39.9 t -59.22 -51.41 72.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.061 -0.972 . . . . 0.65 110.289 177.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.8 t -61.56 -27.42 68.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.163 -0.926 . . . . 1.22 110.311 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.537 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 12.5 mtm180 -69.8 -35.69 75.06 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.305 -0.628 . . . . 2.65 109.305 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.799 HG13 ' HG2' ' A' ' 35' ' ' ARG . 60.3 t -78.5 -43.38 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.445 0.64 . . . . 0.92 110.806 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 20' ' ' VAL . 41.2 t -61.82 -48.04 90.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.329 -0.85 . . . . 0.94 112.547 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -97.7 -17.27 19.53 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 114.991 1.478 . . . . 1.24 114.991 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 88.0 mt-30 -130.7 -117.43 0.23 Allowed 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 121.409 -0.807 . . . . 4.46 111.948 -177.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 152.31 -40.71 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.327 0 O-C-N 125.078 1.486 . . . . 2.66 109.333 -176.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 5.8 t -68.28 150.71 47.92 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.171 -0.677 . . . . 2.08 109.171 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 28' ' ' SER . 65.9 m170 70.52 16.19 7.04 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.574 0.702 . . . . 1.63 109.288 -178.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.5 t -134.26 123.35 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 CA-C-N 114.786 -1.097 . . . . 1.05 108.408 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -71.79 144.24 49.24 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.142 -0.688 . . . . 1.29 109.142 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.19 -35.76 49.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.796 -0.638 . . . . 1.09 112.179 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.26 -47.59 72.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.654 0.264 . . . . 3.08 111.63 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -77.2 -42.78 36.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.033 0.383 . . . . 0.98 112.033 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.799 ' HG2' HG13 ' A' ' 23' ' ' VAL . 4.9 ttp180 -51.2 -51.73 51.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.635 0.606 . . . . 3.63 112.635 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -72.6 -17.68 61.66 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.252 -0.885 . . . . 1.72 111.557 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -86.28 -29.84 22.76 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.152 -0.477 . . . . 1.44 110.035 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 20' ' ' VAL . 93.0 t -79.69 -41.02 21.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.999 0.428 . . . . 0.68 109.861 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -62.9 -27.44 69.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.541 0.686 . . . . 1.7 109.369 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.59 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -76.2 -34.16 59.28 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.018 -0.992 . . . . 0.78 110.036 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.4 -43.64 89.96 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.35 0.595 . . . . 0.79 110.791 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.6 mtt -59.07 -27.92 65.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.982 -1.008 . . . . 0.87 112.804 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.41 -29.64 30.65 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.751 0.786 . . . . 0.93 110.043 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 22.2 mm-40 -70.49 -60.48 2.24 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.657 -1.156 . . . . 1.55 112.241 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.514 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -80.06 -14.17 58.74 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 114.3 -1.318 . . . . 1.79 111.773 -177.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 69.99 68.92 0.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.982 0.801 . . . . 2.2 109.793 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.554 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.6 t80 -80.28 126.66 31.42 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.988 -1.005 . . . . 1.38 110.242 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.81 106.24 55.42 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.601 -0.889 . . . . 1.39 108.601 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.45 118.74 5.52 Favored 'Trans proline' 0 N--CA 1.475 0.431 0 C-N-CA 122.689 2.259 . . . . 0.78 111.957 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -77.74 97.56 5.22 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.105 0.478 . . . . 0.69 110.832 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -62.32 -28.97 70.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.596 -0.729 . . . . 4.2 112.002 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.8 OUTLIER -72.77 -34.29 66.88 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.54 -0.541 . . . . 0.7 109.54 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.794 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -70.74 -41.03 72.35 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.173 -0.677 . . . . 0.53 109.173 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -58.53 -43.01 89.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.36 -1.291 . . . . 1.67 109.243 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -67.81 -34.56 76.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.097 -0.956 . . . . 2.66 111.889 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 tp -67.71 -43.83 79.13 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.639 -0.255 . . . . 0.61 110.371 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.83 -19.0 58.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.966 0.412 . . . . 0.85 111.098 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.885 0 C-N-CA 120.699 -0.762 . . . . 1.86 112.062 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo . . . . . 0 N--CA 1.459 -0.545 0 N-CA-C 110.966 -0.436 . . . . 1.75 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.712 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 74.0 t -63.73 160.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.243 -0.651 . . . . 0.83 109.243 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.6 p -135.82 163.19 30.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.922 -0.486 . . . . 0.68 110.595 -177.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.459 HD23 ' HD1' ' B' ' 17' ' ' TYR . 0.5 OUTLIER -51.28 -32.37 24.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.236 -0.893 . . . . 0.66 110.627 177.266 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -66.63 -37.73 85.45 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.251 -0.431 . . . . 1.22 111.131 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.65 -41.71 87.82 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.448 -0.575 . . . . 1.45 109.448 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.614 ' HA ' HD23 ' B' ' 45' ' ' LEU . 41.7 t -64.66 -45.35 95.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.282 -0.872 . . . . 0.55 110.355 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.508 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -54.71 -52.86 61.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.245 -0.889 . . . . 0.63 111.461 178.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -56.01 -49.37 73.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.469 -0.787 . . . . 2.46 111.695 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.512 ' CB ' HD21 ' B' ' 45' ' ' LEU . 15.1 t80 -64.57 -49.89 69.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.713 -0.676 . . . . 1.39 111.881 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -27.56 69.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 112.015 0.376 . . . . 0.69 112.015 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.23 44.12 7.69 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.256 -0.973 . . . . 1.09 111.404 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.9 m -133.99 171.86 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 N-CA-C 108.179 -1.045 . . . . 0.62 108.179 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.441 ' O ' ' HB ' ' B' ' 19' ' ' THR . 68.9 m -74.74 155.37 37.75 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 107.618 -1.253 . . . . 1.31 107.618 175.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.459 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -61.55 -43.05 99.57 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 110.091 -0.337 . . . . 1.58 110.091 -178.809 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.479 ' O ' ' HG3' ' B' ' 22' ' ' ARG . 9.9 tp60 -55.33 -38.63 68.99 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.269 0.557 . . . . 0.89 110.455 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' B' ' 16' ' ' SER . 23.5 m -53.44 -40.23 65.02 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.819 -1.082 . . . . 0.64 111.01 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' B' ' 10' ' ' ALA . 16.7 t -67.48 -45.56 85.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.279 -0.873 . . . . 1.17 110.665 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 38.5 m -52.13 -46.8 65.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.848 -1.167 . . . . 1.13 107.848 176.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' B' ' 18' ' ' GLN . 19.1 mtp85 -56.43 -41.2 76.0 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 113.796 -1.547 . . . . 2.87 112.061 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -74.5 -38.55 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.945 0.35 . . . . 0.86 111.945 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.95 -31.68 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-O 121.397 0.618 . . . . 1.03 111.182 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -97.15 -0.51 46.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.738 -0.665 . . . . 1.25 111.177 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 54.64 44.56 28.44 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.685 0.755 . . . . 3.75 109.963 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.55 173.81 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.855 -1.066 . . . . 2.36 110.281 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 1.5 m -89.99 175.21 7.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.915 0.388 . . . . 1.96 110.501 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' HIS . . . . . 0.413 ' HB2' ' NH2' ' B' ' 22' ' ' ARG . 28.4 m170 71.38 34.9 1.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.578 -0.737 . . . . 1.34 110.899 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -130.28 130.61 65.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.496 -0.557 . . . . 1.1 109.496 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.457 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 35.5 m -71.76 152.22 42.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.517 -0.549 . . . . 0.98 109.517 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.68 -55.67 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.649 0.611 . . . . 1.12 112.649 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -54.62 -52.08 63.35 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.079 0.466 . . . . 3.25 110.244 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.459 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -55.72 -34.63 65.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.64 -0.709 . . . . 0.77 112.142 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -67.93 -47.12 69.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.341 0.591 . . . . 3.59 110.273 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.98 -33.68 75.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.983 -1.008 . . . . 1.96 111.658 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -65.17 -35.38 80.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.834 0.35 . . . . 1.91 110.112 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 34' ' ' THR . 59.7 t -71.61 -41.87 71.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.086 -0.506 . . . . 0.62 110.578 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.39 -28.49 67.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.878 -0.416 . . . . 1.68 109.878 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.77 -44.61 69.82 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.77 109.325 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.454 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -57.09 -31.53 65.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.444 -1.253 . . . . 0.65 110.733 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 63.0 mtt -62.85 -20.6 65.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.479 -0.782 . . . . 0.71 110.164 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.96 -48.0 7.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.537 . . . . 0.9 110.879 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.43 -44.42 94.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.865 -0.607 . . . . 1.58 111.588 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.672 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -76.64 -19.08 58.18 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-N 116.42 -0.354 . . . . 1.14 111.129 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.579 ' O ' HG12 ' B' ' 48' ' ' ILE . 1.8 t30 62.75 46.13 5.4 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.8 -1.185 . . . . 1.24 107.8 -175.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.712 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.8 t80 -49.92 120.32 4.26 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 114.684 -1.143 . . . . 1.46 110.778 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.579 HG12 ' O ' ' B' ' 46' ' ' ASN . 39.4 mm -132.24 96.21 19.96 Favored Pre-proline 0 N--CA 1.441 -0.885 0 N-CA-C 104.376 -2.453 . . . . 1.34 104.376 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.508 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 10.5 Cg_exo -32.06 121.34 0.09 OUTLIER 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 125.119 3.879 . . . . 0.72 116.165 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.533 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 46.9 t-20 -53.42 124.57 15.18 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.41 -0.959 . . . . 0.85 108.41 178.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 3.2 mpt_? -89.66 -22.86 22.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 120.666 -1.271 . . . . 4.55 111.943 -176.172 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 94.8 m -83.37 -51.83 7.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.509 -0.769 . . . . 0.73 110.442 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.77 -46.84 74.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.586 . . . . 0.64 111.272 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.533 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 59.6 mt-30 -65.59 -30.82 71.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.839 0.681 . . . . 1.04 112.839 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 1.0 OUTLIER -63.08 -52.37 62.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.601 -1.259 . . . . 2.45 107.601 179.128 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.794 HD11 ' HB2' ' A' ' 53' ' ' ALA . 2.3 mp -53.2 -43.74 67.43 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 114.674 -1.148 . . . . 0.65 111.871 178.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.88 -7.13 56.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.433 -0.349 . . . . 1.07 111.322 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.505 0 C-N-CA 120.098 -1.049 . . . . 1.6 112.851 -179.723 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 N--CA 1.454 -0.821 0 CA-C-O 121.455 0.523 . . . . 1.9 111.923 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.493 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 84.2 t -122.8 130.06 74.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.437 -0.949 . . . . 0.99 108.437 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 9' ' ' VAL . 22.6 p -97.41 171.83 8.15 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 113.44 0.904 . . . . 0.72 113.44 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.476 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -66.37 -17.92 65.05 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 114.071 -1.422 . . . . 0.66 109.338 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.61 -40.88 61.28 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.149 -0.932 . . . . 0.68 110.552 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -64.66 -41.62 95.97 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.586 -1.264 . . . . 1.86 107.586 178.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 5' ' ' THR . 44.1 t -60.01 -47.01 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 112.863 -1.971 . . . . 0.66 109.044 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.06 -36.45 81.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.139 -0.937 . . . . 0.65 111.798 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.15 -46.84 63.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.065 0.46 . . . . 2.41 111.115 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 69.1 t80 -71.09 -28.49 64.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.912 -0.586 . . . . 1.68 111.071 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.61 -19.25 33.3 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 109.525 -0.546 . . . . 0.71 109.525 -179.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.01 46.6 43.25 Favored Glycine 0 CA--C 1.502 -0.772 0 N-CA-C 110.548 -1.021 . . . . 0.68 110.548 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.7 m -138.5 -169.56 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.086 -1.057 . . . . 0.62 109.329 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.2 m -102.66 150.34 23.53 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 108.606 -0.887 . . . . 1.03 108.606 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.476 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 36.6 p90 -51.28 -38.48 53.03 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.035 -0.53 . . . . 1.38 110.384 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -60.06 -33.71 72.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 2.08 111.302 176.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.9 m -68.68 -44.4 74.1 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.295 0.569 . . . . 0.61 109.775 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.626 ' HA ' HG11 ' A' ' 38' ' ' VAL . 71.4 t -61.16 -46.89 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 CA-C-N 115.08 -0.964 . . . . 0.65 110.139 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -61.39 -32.9 72.85 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.496 -0.774 . . . . 1.22 110.942 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.574 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 24.9 mtm180 -68.89 -30.3 68.77 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.857 -0.794 . . . . 2.65 108.857 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -78.21 -45.09 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 CA-C-N 115.605 -0.725 . . . . 0.92 109.422 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 20' ' ' VAL . 26.0 t -60.63 -43.06 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 115.562 -0.744 . . . . 0.94 109.423 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -64.65 -32.35 73.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.073 -0.967 . . . . 1.24 110.94 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 67.84 47.02 1.17 Allowed 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.415 0.447 . . . . 4.46 110.958 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.19 -151.48 0.46 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.234 0.54 . . . . 2.66 110.644 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -99.81 -172.65 2.28 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.714 -0.847 . . . . 2.08 108.714 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.7 m170 66.87 25.76 9.44 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.833 -0.432 . . . . 1.63 109.833 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.574 ' CG2' ' HB3' ' A' ' 22' ' ' ARG . 32.3 t -135.21 120.74 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.485 -0.779 . . . . 1.05 109.953 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -78.84 137.75 37.84 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.703 -0.851 . . . . 1.29 108.703 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -51.57 -39.64 58.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 1.09 112.512 -178.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -51.03 65.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.469 0.652 . . . . 3.08 111.372 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -71.86 -36.12 70.02 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.109 -0.95 . . . . 0.98 111.825 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -57.84 -48.64 79.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.13 0.49 . . . . 3.63 111.229 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 22.4 mt-10 -71.07 -19.48 62.47 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.542 -0.754 . . . . 1.72 112.823 -178.225 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.6 ptpt -85.62 -28.98 24.43 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.185 -0.606 . . . . 1.44 109.695 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.626 HG11 ' HA ' ' A' ' 20' ' ' VAL . 88.8 t -80.06 -41.36 21.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.305 -0.861 . . . . 0.68 109.482 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.23 -29.25 70.27 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.191 -1.041 . . . . 1.7 108.191 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.606 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -72.75 -40.18 66.25 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 114.366 -1.288 . . . . 0.78 110.433 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.91 87.6 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.833 -0.622 . . . . 0.79 110.621 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.545 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 30.8 mtt -64.27 -23.69 67.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.198 -0.91 . . . . 0.87 111.275 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.72 -32.86 20.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.567 0.699 . . . . 0.93 110.237 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 47.2 mm-40 -67.77 -59.39 3.35 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.575 -1.193 . . . . 1.55 111.539 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -80.99 -11.38 59.57 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.179 -1.373 . . . . 1.79 111.94 -177.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 67.57 61.65 0.45 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.607 0.718 . . . . 2.2 110.73 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.493 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.7 t80 -78.97 129.93 35.0 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.105 -0.952 . . . . 1.38 112.143 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -114.74 112.46 45.26 Favored Pre-proline 0 N--CA 1.446 -0.63 0 CA-C-N 115.496 -0.774 . . . . 1.39 109.655 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -63.5 120.68 8.19 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.465 2.11 . . . . 0.78 111.892 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.532 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 51.1 m-80 -77.48 100.2 5.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.35 -0.841 . . . . 0.69 111.253 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.515 ' HD2' ' OE1' ' A' ' 54' ' ' GLN . 6.6 mmm180 -59.68 -30.19 68.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.191 -0.459 . . . . 4.2 112.057 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.4 -33.48 73.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.894 0.378 . . . . 0.7 111.06 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -74.97 -39.6 61.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.385 0.612 . . . . 0.53 109.389 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 50' ' ' ASN . 43.4 mt-30 -64.92 -37.69 88.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.964 -1.016 . . . . 1.67 109.53 178.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -31.66 68.25 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.656 -0.702 . . . . 2.66 109.228 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 tp -68.93 -52.7 26.55 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.45 -0.795 . . . . 0.61 111.61 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.86 -14.66 61.54 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.625 0.972 . . . . 0.85 113.625 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.606 0 C-N-CA 118.942 -1.599 . . . . 1.86 114.019 -179.855 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.31 0.463 . . . . 1.75 111.425 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.698 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 99.4 t -84.38 163.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 115.453 -0.794 . . . . 0.83 110.895 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.424 ' N ' HG12 ' B' ' 4' ' ' VAL . 23.0 p -133.52 158.18 43.79 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 116.349 -0.387 . . . . 0.68 110.188 -177.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.526 HD21 HG13 ' B' ' 20' ' ' VAL . 0.8 OUTLIER -54.52 -30.5 53.86 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.913 0.387 . . . . 0.66 110.914 177.039 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -65.89 -34.85 79.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.854 -0.612 . . . . 1.22 111.466 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -70.55 -36.95 73.95 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.377 -0.601 . . . . 1.45 109.377 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.605 ' HA ' HD23 ' B' ' 45' ' ' LEU . 31.5 t -64.83 -45.28 95.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.26 -0.882 . . . . 0.55 110.455 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.741 ' HB2' HG11 ' B' ' 20' ' ' VAL . . . -55.2 -54.76 39.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.651 -0.704 . . . . 0.63 111.134 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.89 -44.67 94.09 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.091 -0.959 . . . . 2.46 112.885 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.568 ' CB ' HD21 ' B' ' 45' ' ' LEU . 50.3 t80 -63.8 -43.07 97.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.995 0.426 . . . . 1.39 111.447 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.679 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -73.59 -23.1 59.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.785 -0.643 . . . . 0.69 111.523 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.03 44.5 7.6 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.401 -0.905 . . . . 1.09 111.497 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 22.5 m -131.32 171.77 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 109.416 -0.587 . . . . 0.62 109.416 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 53.9 m -76.66 162.66 27.55 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.324 -0.991 . . . . 1.31 108.324 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -40.13 85.27 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.742 -0.383 . . . . 1.58 110.492 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -58.35 -27.88 64.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.78 0.8 . . . . 0.89 110.516 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.2 m -67.24 -50.48 60.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.099 -0.955 . . . . 0.64 112.383 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.741 HG11 ' HB2' ' B' ' 10' ' ' ALA . 2.7 p -62.02 -43.81 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.559 -0.291 . . . . 1.17 110.897 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -57.12 -50.57 72.39 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.533 0.683 . . . . 1.13 109.24 176.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.401 ' HD2' HH11 ' B' ' 22' ' ' ARG . 18.4 mtt85 -50.1 -39.77 43.69 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.735 -1.121 . . . . 2.87 112.689 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.633 HG11 ' HB ' ' B' ' 38' ' ' VAL . 56.1 t -69.82 -37.7 73.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.132 0.491 . . . . 0.86 110.975 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.44 HG22 ' HE1' ' B' ' 42' ' ' MET . 24.2 t -61.12 -34.06 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 CA-C-N 115.575 -0.739 . . . . 1.03 111.007 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -100.75 2.42 41.3 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.349 -0.387 . . . . 1.25 111.703 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 75.0 -53.06 0.67 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.912 0.885 . . . . 3.75 109.206 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.2 -129.24 0.41 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.484 -1.689 . . . . 2.36 110.352 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.4 p -158.32 -42.99 0.06 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.272 0.558 . . . . 1.96 109.859 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -85.71 56.95 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.73 -0.668 . . . . 1.34 110.053 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.5 t -136.39 130.14 47.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 1.1 110.618 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.604 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 18.4 m -78.67 150.22 32.65 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.346 -0.612 . . . . 0.98 109.346 178.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.44 -51.59 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.095 0.405 . . . . 1.12 112.095 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -56.3 -51.69 67.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.856 -0.611 . . . . 3.25 111.016 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.604 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -56.71 -39.1 73.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.288 -0.414 . . . . 0.77 111.302 179.401 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.52 ' HG3' HG13 ' B' ' 23' ' ' VAL . 37.4 ttt180 -66.34 -47.36 73.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.906 0.384 . . . . 3.59 110.928 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -64.54 -34.5 78.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 1.96 111.21 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.679 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 13.5 tppt? -58.95 -47.83 83.69 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.203 0.525 . . . . 1.91 109.764 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.633 ' HB ' HG11 ' B' ' 23' ' ' VAL . 61.0 t -66.23 -40.28 86.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.595 -0.73 . . . . 0.62 111.412 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.64 -36.95 85.9 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 110.07 -0.344 . . . . 1.68 110.07 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.88 -49.07 69.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.183 0.516 . . . . 0.77 109.961 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.38 63.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.413 -0.812 . . . . 0.65 111.359 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.528 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 62.1 mtt -59.2 -23.26 62.11 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.917 0.389 . . . . 0.71 111.104 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.54 -46.4 8.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.619 -0.719 . . . . 0.9 111.027 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' B' ' 44' ' ' GLU . 4.4 mm-40 -60.96 -37.86 83.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.606 0.717 . . . . 1.58 111.22 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.675 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -82.94 -17.87 42.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.89 -1.05 . . . . 1.14 112.394 -179.252 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.498 ' O ' HG12 ' B' ' 48' ' ' ILE . 10.3 t-20 66.15 39.0 4.45 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 106.859 -1.534 . . . . 1.24 106.859 -174.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.698 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.0 t80 -56.78 121.26 9.4 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 114.671 -1.15 . . . . 1.46 111.084 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.498 HG12 ' O ' ' B' ' 46' ' ' ASN . 15.9 mm -127.01 102.83 24.07 Favored Pre-proline 0 N--CA 1.431 -1.391 0 N-CA-C 104.883 -2.266 . . . . 1.34 104.883 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -34.6 123.59 0.18 Allowed 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.951 3.101 . . . . 0.72 114.845 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 53.3 t-20 -66.03 81.9 0.08 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.319 -0.855 . . . . 0.85 110.825 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -51.5 -16.68 0.63 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.153 0.981 . . . . 4.55 113.569 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.412 ' HB2' ' OD1' ' B' ' 50' ' ' ASN . 60.1 m -79.38 -56.32 4.42 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.37 -0.377 . . . . 0.73 110.354 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.23 -30.35 48.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.507 -0.315 . . . . 0.64 111.194 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 21.2 mt-30 -62.02 -44.13 97.37 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.499 -0.319 . . . . 1.04 110.269 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -60.16 -46.36 89.94 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.598 -0.89 . . . . 2.45 108.598 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.5 mp -55.64 -49.64 72.33 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.507 -0.77 . . . . 0.65 111.575 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.31 -1.39 10.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.001 -0.545 . . . . 1.07 112.335 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.421 0 C-N-CA 121.111 -0.566 . . . . 1.6 112.386 179.307 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.456 -0.7 0 N-CA-C 109.803 -0.884 . . . . 1.9 109.803 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.637 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 3.3 t -95.76 169.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 109.031 -0.729 . . . . 0.99 109.031 -178.257 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.51 ' H ' HG12 ' A' ' 4' ' ' VAL . 25.2 p -135.59 163.15 30.77 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.174 -0.676 . . . . 0.72 109.174 -179.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.454 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -65.24 -17.61 64.63 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.669 -0.493 . . . . 0.66 109.669 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -76.76 -37.21 56.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.854 -0.612 . . . . 0.68 109.705 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.75 -38.24 89.77 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 122.689 1.233 . . . . 1.86 108.063 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 5' ' ' THR . 21.2 t -68.76 -47.85 74.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 113.167 -1.833 . . . . 0.66 109.77 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.81 91.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.479 -0.782 . . . . 0.65 110.92 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.39 -52.44 61.64 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.091 -0.504 . . . . 2.41 110.693 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.521 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 32.0 t80 -65.95 -25.66 67.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 1.68 111.93 -178.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.458 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -93.16 -17.36 23.83 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-O 120.903 0.382 . . . . 0.71 110.417 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.75 37.53 26.16 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.286 -0.726 . . . . 0.68 111.286 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.9 m -133.24 179.09 4.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 114.79 -0.705 . . . . 0.62 110.11 -178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.4 m -88.06 159.96 18.03 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.916 -0.772 . . . . 1.03 108.916 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.454 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 17.1 p90 -58.82 -41.93 88.0 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.98 -0.688 . . . . 1.38 109.385 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -60.95 -29.08 69.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.021 -0.536 . . . . 2.08 111.596 177.791 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' A' ' 15' ' ' VAL . 93.0 m -68.04 -39.09 83.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.021 -0.733 . . . . 0.61 109.021 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.635 ' O ' HG23 ' A' ' 24' ' ' VAL . 95.2 t -63.03 -50.22 80.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.087 -0.961 . . . . 0.65 110.662 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 m -60.67 -29.89 69.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.449 -0.342 . . . . 1.22 111.29 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 33.3 mtm180 -72.14 -28.88 63.54 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.706 -0.479 . . . . 2.65 109.706 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.415 HG13 ' HG3' ' A' ' 35' ' ' ARG . 74.5 t -84.04 -40.66 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.92 110.317 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 20' ' ' VAL . 51.8 t -65.96 -51.09 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 115.543 -0.753 . . . . 0.94 111.648 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -80.19 -33.68 38.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.137 -0.938 . . . . 1.24 113.366 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.499 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 54.2 mt-30 -133.45 -109.31 0.23 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 120.495 -0.482 . . . . 4.46 111.052 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 158.43 -34.45 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 124.611 1.194 . . . . 2.66 110.392 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.94 155.71 39.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.427 -0.806 . . . . 2.08 110.846 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.5 m170 68.82 17.03 8.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.368 0.604 . . . . 1.63 110.941 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.48 131.83 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 107.37 -1.344 . . . . 1.05 107.37 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.402 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 2.8 m -54.82 139.9 38.28 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.747 0.784 . . . . 1.29 110.713 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.02 -8.68 39.62 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.402 -0.817 . . . . 1.09 112.462 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.49 -36.59 12.37 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.387 -1.338 . . . . 3.08 107.387 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -75.86 -36.32 59.6 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 114.645 -1.161 . . . . 0.98 112.505 -179.673 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HG3' HG13 ' A' ' 23' ' ' VAL . 47.8 ttp180 -52.43 -50.1 63.25 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.624 0.601 . . . . 3.63 112.624 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -72.6 -21.46 61.12 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.073 0.463 . . . . 1.72 111.125 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -81.84 -31.14 31.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.731 -0.668 . . . . 1.44 110.386 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 34' ' ' THR . 89.1 t -76.23 -43.39 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.127 -0.694 . . . . 0.68 109.127 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -63.99 -27.72 69.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.371 -0.831 . . . . 1.7 109.453 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.46 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.57 -35.01 63.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.162 -0.926 . . . . 0.78 109.984 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.53 87.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.79 110.384 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.0 mtt -64.4 -26.8 68.62 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.69 -0.686 . . . . 0.87 112.074 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.49 -30.69 37.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.007 0.908 . . . . 0.93 109.676 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.521 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 59.9 mm-40 -70.12 -59.16 3.06 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-N 114.116 -1.402 . . . . 1.55 110.822 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.61 -14.72 57.95 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.113 -1.858 . . . . 1.79 111.85 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.84 55.49 1.62 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.438 0.637 . . . . 2.2 110.184 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.637 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 11.6 t80 -71.97 125.82 28.18 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.287 -0.87 . . . . 1.38 111.915 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.88 114.83 53.92 Favored Pre-proline 0 N--CA 1.443 -0.823 0 N-CA-C 108.727 -0.842 . . . . 1.39 108.727 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.92 118.61 5.49 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.794 2.33 . . . . 0.78 111.745 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -70.91 100.54 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.653 0.612 . . . . 0.69 112.653 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt-85 -64.1 -20.78 66.2 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.354 -0.839 . . . . 4.2 111.786 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -77.9 -48.92 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.307 . . . . 0.7 110.561 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.773 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -65.11 -38.81 91.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.154 -0.684 . . . . 0.53 109.154 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -53.23 -44.53 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.638 -1.165 . . . . 1.67 110.02 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -70.98 -36.02 72.35 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.433 -0.803 . . . . 2.66 109.988 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.423 HD22 HD22 ' B' ' 56' ' ' LEU . 7.2 tp -64.83 -52.94 54.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.999 -0.546 . . . . 0.61 111.693 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.74 -20.95 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.475 0.917 . . . . 0.85 113.475 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.923 0 C-N-CA 120.533 -0.841 . . . . 1.86 113.126 -179.6 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 N--CA 1.458 -0.595 0 N-CA-C 110.893 -0.464 . . . . 1.75 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.703 HG21 ' O ' ' B' ' 45' ' ' LEU . 97.0 t -75.93 158.62 5.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.136 -0.69 . . . . 0.83 109.136 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.576 HG22 ' HB2' ' B' ' 50' ' ' ASN . 39.2 p -135.19 161.35 35.6 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.263 0.554 . . . . 0.68 111.273 -177.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.502 HD23 ' HD1' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -50.41 -31.0 13.73 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.016 -0.993 . . . . 0.66 110.443 178.059 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -69.44 -35.31 75.54 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.901 -0.591 . . . . 1.22 111.316 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -69.73 -35.85 75.35 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.926 -0.768 . . . . 1.45 108.926 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.586 ' HA ' HD23 ' B' ' 45' ' ' LEU . 42.9 t -67.76 -43.71 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.158 -0.928 . . . . 0.55 110.283 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.494 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -58.21 -49.55 76.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.489 -0.778 . . . . 0.63 111.576 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -45.21 94.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.272 -0.877 . . . . 2.46 111.605 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.521 ' CB ' HD21 ' B' ' 45' ' ' LEU . 26.8 t80 -65.94 -50.62 63.75 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 111.822 0.305 . . . . 1.39 111.822 -178.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.409 ' HB1' ' CG ' ' B' ' 37' ' ' LYS . . . -67.16 -31.39 71.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.535 -0.466 . . . . 0.69 111.568 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.8 43.55 4.14 Favored Glycine 0 C--N 1.321 -0.302 0 C-N-CA 120.244 -0.979 . . . . 1.09 112.614 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.2 m -134.24 169.08 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.104 -1.073 . . . . 0.62 108.104 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' B' ' 19' ' ' THR . 70.4 m -73.97 151.04 40.42 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 107.735 -1.209 . . . . 1.31 107.735 177.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.502 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -56.27 -40.92 74.99 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 110.374 -0.232 . . . . 1.58 110.374 -179.424 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -54.91 -38.6 67.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.524 0.678 . . . . 0.89 110.696 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' B' ' 16' ' ' SER . 27.5 m -55.59 -36.97 67.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.827 -1.078 . . . . 0.64 111.415 178.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.494 HG21 ' HB2' ' B' ' 10' ' ' ALA . 3.6 t -67.93 -48.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-N 115.721 -0.672 . . . . 1.17 110.215 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 72.4 m -51.97 -48.41 64.37 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.933 -1.136 . . . . 1.13 107.933 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -55.04 -38.12 67.57 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.826 -1.534 . . . . 2.87 112.978 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.417 HG22 ' HD3' ' B' ' 35' ' ' ARG . 55.1 t -76.34 -42.3 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.79 -0.448 . . . . 0.86 109.79 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.65 -37.86 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 115.734 -0.666 . . . . 1.03 111.818 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -90.43 -4.88 56.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.97 -0.559 . . . . 1.25 111.135 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 56.76 39.39 29.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.695 0.76 . . . . 3.75 109.831 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.66 168.82 19.06 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.496 -1.229 . . . . 2.36 110.94 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.21 176.4 9.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 1.96 111.667 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 25.2 m170 67.84 26.39 7.64 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.455 -0.793 . . . . 1.34 110.767 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.662 ' HB ' ' NH2' ' B' ' 35' ' ' ARG . 49.9 t -119.98 124.99 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 115.396 -0.82 . . . . 1.1 110.054 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.52 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 49.0 m -68.1 152.12 45.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.601 -0.272 . . . . 0.98 110.758 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -52.92 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 1.12 112.111 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -53.26 -55.18 26.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.962 -0.563 . . . . 3.25 110.122 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.573 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -53.43 -38.78 63.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.38 -0.827 . . . . 0.77 111.485 178.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.662 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 8.2 tpp180 -63.61 -55.67 21.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.199 0.523 . . . . 3.59 109.829 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.14 -37.12 79.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.135 -0.939 . . . . 1.96 111.877 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.409 ' CG ' ' HB1' ' B' ' 13' ' ' ALA . 4.6 ttmm -63.25 -36.68 84.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.405 . . . . 1.91 110.861 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 34' ' ' THR . 94.2 t -75.86 -39.63 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.294 -0.412 . . . . 0.62 110.992 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -68.12 -26.97 66.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.328 -0.396 . . . . 1.68 110.648 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.44 -48.97 36.85 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.43 -0.805 . . . . 0.77 110.171 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.502 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -54.24 -28.94 44.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.227 -0.897 . . . . 0.65 111.177 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 65.3 mtt -60.91 -22.4 64.31 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.255 -0.884 . . . . 0.71 109.97 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.58 -49.45 8.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.494 . . . . 0.9 111.008 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.6 -48.83 78.32 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.484 0.659 . . . . 1.58 110.995 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.703 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -73.18 -18.66 61.24 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.171 -0.922 . . . . 1.14 112.398 -178.713 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.23 41.31 2.56 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.623 -1.621 . . . . 1.24 106.623 -174.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.653 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.4 t80 -54.47 119.14 4.82 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.041 -0.982 . . . . 1.46 110.848 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.1 mt -134.23 100.16 13.01 Favored Pre-proline 0 N--CA 1.436 -1.168 0 N-CA-C 102.505 -3.146 . . . . 1.34 102.505 177.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.536 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.4 OUTLIER -29.76 125.77 0.06 OUTLIER 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 124.722 3.615 . . . . 0.72 116.014 -174.867 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.576 ' HB2' HG22 ' B' ' 5' ' ' THR . 40.6 t-20 -63.68 78.76 0.03 OUTLIER 'General case' 0 C--N 1.346 0.457 0 CA-C-N 114.737 -1.12 . . . . 0.85 109.599 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 11.0 mmm180 -48.72 -26.51 2.36 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.879 -1.055 . . . . 4.55 112.966 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 56.1 m -67.28 -63.41 1.06 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.981 0.42 . . . . 0.73 110.955 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.65 65.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.041 -0.527 . . . . 0.64 111.315 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.536 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 9.5 mt-30 -66.83 -27.04 67.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.858 -0.61 . . . . 1.04 111.751 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 1.5 mt-30 -91.22 -21.08 21.29 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.642 -0.873 . . . . 2.45 108.642 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.773 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.7 tp -74.61 -48.82 24.31 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.877 -1.056 . . . . 0.65 109.918 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.92 5.2 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 1.07 111.477 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.829 0 C-N-CA 120.631 -0.795 . . . . 1.6 112.229 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo . . . . . 0 N--CA 1.454 -0.836 0 N-CA-C 108.829 -1.258 . . . . 1.9 108.829 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.56 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 3.8 t -100.53 170.37 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 108.713 -0.847 . . . . 0.99 108.713 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.545 ' H ' HG12 ' A' ' 4' ' ' VAL . 55.6 p -136.08 159.06 42.87 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.106 -1.072 . . . . 0.72 108.106 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.52 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -62.51 -15.85 52.6 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.177 0.513 . . . . 0.66 109.855 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -78.8 -36.74 42.26 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.736 -0.666 . . . . 0.68 110.59 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -63.51 -38.37 90.89 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.62 1.2 . . . . 1.86 107.785 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.6 t -66.7 -44.92 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.125 0 CA-C-N 112.72 -2.036 . . . . 0.66 109.873 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -65.14 -35.68 81.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.281 -0.872 . . . . 0.65 111.538 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -71.13 -50.37 34.18 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.682 -0.69 . . . . 2.41 110.542 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 51.7 t80 -67.32 -23.01 65.59 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.535 -0.757 . . . . 1.68 111.472 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.514 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -93.35 -23.04 18.6 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 121.693 -0.629 . . . . 0.71 110.024 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.04 36.72 24.05 Favored Glycine 0 CA--C 1.506 -0.47 0 N-CA-C 110.816 -0.914 . . . . 0.68 110.816 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG22 ' HB3' ' A' ' 13' ' ' ALA . 24.0 m -127.31 -174.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.773 -0.713 . . . . 0.62 110.041 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -89.14 158.49 17.91 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 107.796 -1.187 . . . . 1.03 107.796 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.52 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 27.1 p90 -61.78 -41.72 98.08 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.28 -0.968 . . . . 1.38 109.833 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -60.89 -26.68 67.59 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.99 -0.284 . . . . 2.08 111.027 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.8 m -64.36 -42.69 96.07 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.659 0.742 . . . . 0.61 109.297 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 24' ' ' VAL . 68.4 t -60.64 -52.06 65.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.51 -1.223 . . . . 0.65 110.195 177.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.9 t -63.53 -26.88 68.91 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 120.913 0.387 . . . . 1.22 110.259 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -36.54 72.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.656 -0.868 . . . . 2.65 108.656 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.516 HG13 ' HG3' ' A' ' 35' ' ' ARG . 54.5 t -75.32 -40.86 43.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.519 0.676 . . . . 0.92 109.971 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 20' ' ' VAL . 40.3 t -68.04 -42.05 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.934 -1.03 . . . . 0.94 113.393 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -113.14 -1.71 14.31 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.747 1.758 . . . . 1.24 115.747 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -165.04 74.44 0.23 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.009 1.277 . . . . 4.46 112.979 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.86 -40.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.497 0.925 . . . . 2.66 113.497 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 1.2 m -67.78 148.93 50.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.791 -0.64 . . . . 2.08 110.18 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.546 ' HB2' ' O ' ' A' ' 28' ' ' SER . 28.5 m170 78.91 15.57 1.08 Allowed 'General case' 0 C--N 1.342 0.262 0 N-CA-C 107.993 -1.114 . . . . 1.63 107.993 -178.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 t -139.17 130.59 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 114.81 -1.086 . . . . 1.05 109.454 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.459 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 47.9 m -65.77 141.9 58.16 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.966 -0.561 . . . . 1.29 109.707 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.635 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.39 -40.05 81.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.695 -0.684 . . . . 1.09 111.36 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -42.56 85.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.929 0.395 . . . . 3.08 111.386 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.479 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -76.34 -39.38 54.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.141 -0.481 . . . . 0.98 111.815 179.415 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.516 ' HG3' HG13 ' A' ' 23' ' ' VAL . 33.9 ttm180 -59.26 -47.86 83.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.235 0.54 . . . . 3.63 111.704 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 35.3 mt-10 -70.48 -17.57 62.97 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.814 -0.63 . . . . 1.72 111.616 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.479 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 5.4 ptpt -87.8 -26.24 22.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.261 0.553 . . . . 1.44 110.086 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 20' ' ' VAL . 70.0 t -82.03 -44.35 19.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.67 -0.695 . . . . 0.68 109.475 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.11 -34.18 71.73 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.814 -0.81 . . . . 1.7 108.814 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -67.08 -39.39 86.79 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.368 -1.287 . . . . 0.78 110.237 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.67 97.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.79 111.166 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.7 mtm -64.54 -22.06 66.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.171 -0.468 . . . . 0.87 111.84 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.7 -34.59 27.28 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.925 0.869 . . . . 0.93 109.564 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.499 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 44.2 mm-40 -68.37 -58.03 4.98 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 113.946 -1.479 . . . . 1.55 111.17 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -12.55 59.36 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 114.257 -1.338 . . . . 1.79 112.672 -177.172 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.482 ' O ' HD12 ' A' ' 48' ' ' ILE . 9.2 m120 62.08 57.6 2.02 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.132 0.491 . . . . 2.2 109.938 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.56 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.1 t80 -73.45 126.76 30.94 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.565 -0.743 . . . . 1.38 111.491 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 46' ' ' ASN . 2.7 mp -116.52 109.82 43.38 Favored Pre-proline 0 N--CA 1.446 -0.672 0 N-CA-C 108.703 -0.851 . . . . 1.39 108.703 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -53.89 123.38 13.31 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 123.067 2.512 . . . . 0.78 112.563 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -73.98 103.85 4.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.488 0.661 . . . . 0.69 112.32 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -18.75 65.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.636 -0.711 . . . . 4.2 111.127 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.64 -45.36 30.2 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.497 -0.557 . . . . 0.7 109.497 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -70.66 -35.74 73.01 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.248 -0.649 . . . . 0.53 109.248 178.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -58.18 -51.94 67.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.919 -1.037 . . . . 1.67 110.505 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -64.29 -32.31 73.86 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.616 -0.434 . . . . 2.66 110.674 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 7.2 tp -67.24 -49.09 65.76 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.178 -0.464 . . . . 0.61 110.914 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.71 -17.64 16.38 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.455 0.909 . . . . 0.85 113.455 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 120.453 -0.88 . . . . 1.86 112.497 -179.667 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo . . . . . 0 N--CA 1.471 0.195 0 CA-C-O 120.647 0.186 . . . . 1.75 111.895 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.618 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.2 t -74.28 160.49 5.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.12 0.486 . . . . 0.83 109.928 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.5 p -131.7 155.85 46.93 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 116.228 -0.442 . . . . 0.68 111.04 -177.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.499 HD23 ' HD1' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -51.63 -29.35 17.35 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 111.892 0.33 . . . . 0.66 111.892 177.045 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -69.36 -36.8 77.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.834 -1.076 . . . . 1.22 111.105 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.83 -39.32 90.72 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.393 0.616 . . . . 1.45 109.422 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.553 ' HA ' HD23 ' B' ' 45' ' ' LEU . 25.3 t -65.18 -46.19 91.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-N 115.013 -0.994 . . . . 0.55 110.891 -179.023 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.529 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -54.85 -53.82 50.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.036 -0.984 . . . . 0.63 111.026 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -58.61 -49.33 77.87 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.357 -1.292 . . . . 2.46 111.777 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.526 ' CB ' HD21 ' B' ' 45' ' ' LEU . 40.9 t80 -60.8 -50.3 74.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 1.39 111.738 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.731 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -68.31 -21.09 64.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.805 0.668 . . . . 0.69 112.805 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.44 42.1 19.05 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 111.222 -0.751 . . . . 1.09 111.222 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -129.72 171.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 N-CA-C 108.658 -0.868 . . . . 0.62 108.658 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 46.7 p -72.89 159.26 34.0 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.759 -1.2 . . . . 1.31 107.759 177.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.499 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -70.09 -15.17 62.95 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.895 -0.322 . . . . 1.58 110.391 -179.121 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -82.62 -35.55 26.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.757 -1.201 . . . . 0.89 107.757 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.461 ' O ' HG23 ' B' ' 23' ' ' VAL . 70.1 m -52.87 -36.01 58.45 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 113.95 -1.477 . . . . 0.64 109.392 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' B' ' 10' ' ' ALA . 1.8 t -66.76 -52.25 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.468 -0.787 . . . . 1.17 109.428 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 60.3 m -53.85 -49.0 69.43 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 107.91 -1.144 . . . . 1.13 107.91 176.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -52.4 -38.54 59.22 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 113.663 -1.608 . . . . 2.87 113.236 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 19' ' ' THR . 65.9 t -78.55 -46.96 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 117.985 0.357 . . . . 0.86 110.628 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 20' ' ' VAL . 72.2 t -56.78 -40.68 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 O-C-N 123.716 0.635 . . . . 1.03 110.878 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -86.67 -5.34 59.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 1.25 111.723 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 56.73 40.77 28.98 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.493 -0.558 . . . . 3.75 109.493 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.92 170.56 15.71 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 114.908 -1.042 . . . . 2.36 112.26 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.98 173.14 11.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.267 -0.879 . . . . 1.96 112.73 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 55.0 m170 63.86 50.3 2.64 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.134 -0.939 . . . . 1.34 109.977 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -139.49 129.48 30.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.245 -0.889 . . . . 1.1 110.293 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.502 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 32.6 m -74.45 152.6 39.43 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.99 -0.55 . . . . 0.98 109.739 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.08 -49.19 74.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.96 -0.564 . . . . 1.12 111.425 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -57.5 -55.62 32.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.027 -0.533 . . . . 3.25 112.147 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.502 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -52.65 -34.07 49.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.224 -0.444 . . . . 0.77 111.397 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 7.0 tpp180 -71.19 -46.18 61.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.274 -0.421 . . . . 3.59 110.313 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -65.93 -32.7 74.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 1.96 111.786 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.731 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 16.9 tppt? -63.54 -49.14 74.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.872 -0.604 . . . . 1.91 110.836 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.548 ' O ' ' HG3' ' B' ' 42' ' ' MET . 61.1 t -64.29 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.596 -0.729 . . . . 0.62 111.589 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 47.9 mt-10 -60.39 -39.84 88.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.915 0.388 . . . . 1.68 110.701 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.54 -43.27 66.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.311 0.577 . . . . 0.77 110.749 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.75 -29.64 59.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.399 -0.818 . . . . 0.65 110.774 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.548 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 51.8 mtt -62.8 -22.07 66.35 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.571 -0.74 . . . . 0.71 110.937 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.59 -43.89 9.9 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.111 -0.495 . . . . 0.9 110.522 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.22 -55.39 35.34 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.555 -0.748 . . . . 1.58 111.229 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.2 OUTLIER -74.54 -14.21 60.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.09 -0.959 . . . . 1.14 111.431 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.48 43.65 5.81 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.973 -1.121 . . . . 1.24 107.973 -175.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.618 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 t80 -57.44 122.88 13.66 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 114.622 -1.172 . . . . 1.46 111.22 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 80.7 mt -138.67 98.09 8.93 Favored Pre-proline 0 N--CA 1.437 -1.106 0 N-CA-C 103.434 -2.802 . . . . 1.34 103.434 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.564 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.2 OUTLIER -28.97 121.66 0.05 OUTLIER 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 125.101 3.867 . . . . 0.72 116.725 -175.443 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -56.55 87.6 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 113.956 -1.475 . . . . 0.85 110.188 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 17.6 mmt85 -51.04 -23.77 3.29 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.729 1.011 . . . . 4.55 113.729 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 69.8 m -77.71 -57.06 4.01 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 119.992 -0.683 . . . . 0.73 111.56 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.36 -35.69 71.23 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.141 0.496 . . . . 0.64 111.193 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.564 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 6.9 mt-30 -65.87 -29.56 70.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.746 -0.661 . . . . 1.04 112.422 -178.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -89.39 -21.5 23.03 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.043 -0.725 . . . . 2.45 109.043 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.406 HD11 ' HB2' ' A' ' 53' ' ' ALA . 2.6 tp -77.94 -42.36 33.28 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.085 -0.961 . . . . 0.65 108.919 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.23 3.08 3.08 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.699 0.629 . . . . 1.07 112.699 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.573 0 C-N-CA 120.155 -1.022 . . . . 1.6 113.989 178.837 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo . . . . . 0 N--CA 1.459 -0.53 0 CA-C-O 121.625 0.594 . . . . 1.9 111.336 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 18.0 t -101.58 171.72 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 107.629 -1.249 . . . . 0.99 107.629 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 9' ' ' VAL . 7.1 p -134.18 162.13 32.99 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 109.158 -0.682 . . . . 0.72 109.158 -178.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.515 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -63.74 -16.47 61.23 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.47 -0.567 . . . . 0.66 109.47 177.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -79.31 -39.33 33.12 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.077 -0.51 . . . . 0.68 110.086 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.65 -37.55 84.45 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 107.998 -1.112 . . . . 1.86 107.998 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 5' ' ' THR . 29.6 t -67.02 -49.04 77.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-N 112.753 -2.021 . . . . 0.66 109.437 178.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -59.52 -42.66 92.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.388 -0.824 . . . . 0.65 110.781 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.53 -50.42 67.39 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.523 -0.762 . . . . 2.41 111.167 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.609 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 57.8 t80 -67.67 -24.02 65.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.89 0.376 . . . . 1.68 111.509 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.467 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -90.72 -18.88 24.25 Favored 'General case' 0 N--CA 1.434 -1.232 0 C-N-CA 120.615 -0.434 . . . . 0.71 110.35 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.38 38.82 27.95 Favored Glycine 0 N--CA 1.439 -1.101 0 N-CA-C 110.344 -1.102 . . . . 0.68 110.344 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.467 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.3 m -135.43 -175.06 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 115.022 -0.589 . . . . 0.62 109.752 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.2 m -93.82 151.49 19.56 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.468 -0.938 . . . . 1.03 108.468 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.515 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 22.3 p90 -53.33 -39.75 64.32 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.16 0.505 . . . . 1.38 110.744 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 2.7 tm0? -62.0 -28.54 69.64 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.484 -0.78 . . . . 2.08 111.091 177.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -69.59 -43.43 72.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.707 0.765 . . . . 0.61 109.112 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.651 ' HA ' HG11 ' A' ' 38' ' ' VAL . 78.0 t -59.76 -53.44 48.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 114.79 -1.095 . . . . 0.65 111.161 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 t -64.89 -23.94 67.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.163 -0.471 . . . . 1.22 110.703 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 11.5 ttp180 -72.83 -30.29 63.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.927 -0.768 . . . . 2.65 108.927 178.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.45 HG13 ' HG2' ' A' ' 35' ' ' ARG . 43.4 t -80.72 -42.45 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 CA-C-N 115.305 -0.861 . . . . 0.92 110.364 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 20' ' ' VAL . 23.5 t -67.05 -52.16 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.418 -0.81 . . . . 0.94 112.623 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -75.75 -37.5 59.27 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 113.291 0.849 . . . . 1.24 113.291 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 54.4 mm-40 -131.68 -114.15 0.23 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.531 -0.468 . . . . 4.46 111.663 -174.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 158.25 -32.92 0.0 OUTLIER 'General case' 0 C--N 1.346 0.441 0 O-C-N 124.379 1.049 . . . . 2.66 110.866 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.87 151.59 46.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.971 -0.559 . . . . 2.08 109.536 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.6 m170 69.13 21.89 7.06 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 109.33 -0.619 . . . . 1.63 109.33 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.482 HG22 ' HE ' ' A' ' 22' ' ' ARG . 34.0 t -137.6 130.81 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.248 -0.887 . . . . 1.05 109.408 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -81.11 152.61 27.73 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.425 0.631 . . . . 1.29 110.088 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.13 69.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.627 -0.715 . . . . 1.09 110.819 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -51.75 -46.54 64.11 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.561 -0.745 . . . . 3.08 111.388 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -81.25 -39.61 25.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.135 0.493 . . . . 0.98 111.807 -179.134 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.45 ' HG2' HG13 ' A' ' 23' ' ' VAL . 5.5 ttp180 -53.64 -57.4 10.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.2 0.524 . . . . 3.63 111.706 -178.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -67.52 -19.01 65.25 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.5 -0.773 . . . . 1.72 111.958 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -87.01 -28.45 22.63 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.61 -0.436 . . . . 1.44 109.937 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.651 HG11 ' HA ' ' A' ' 20' ' ' VAL . 70.6 t -78.21 -43.2 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.66 -0.496 . . . . 0.68 109.66 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -60.73 -35.48 76.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.526 -0.761 . . . . 1.7 109.205 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -68.04 -37.42 81.32 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.237 -0.892 . . . . 0.78 110.826 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.32 87.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.862 -0.608 . . . . 0.79 110.796 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 18.7 mtt -66.06 -27.16 67.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 0.87 112.29 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.46 -32.64 42.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.971 0.891 . . . . 0.93 109.259 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.609 ' HG3' ' CE2' ' A' ' 12' ' ' TYR . 38.0 mm-40 -69.42 -59.64 2.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.119 -1.4 . . . . 1.55 112.058 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.15 -8.81 59.66 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.016 -1.447 . . . . 1.79 112.736 -177.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.519 ' O ' HD13 ' A' ' 48' ' ' ILE . 83.6 m-20 61.31 56.95 2.52 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.238 0.542 . . . . 2.2 110.082 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.554 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 13.8 t80 -72.38 123.61 23.4 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.05 -0.523 . . . . 1.38 110.618 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -112.63 116.2 48.31 Favored Pre-proline 0 N--CA 1.434 -1.268 0 N-CA-C 109.321 -0.622 . . . . 1.39 109.321 178.286 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.442 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 47.4 Cg_exo -57.02 116.77 3.44 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.364 2.709 . . . . 0.78 112.7 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -76.54 95.93 4.0 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.012 0.434 . . . . 0.69 110.585 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' A' ' 49' ' ' PRO . 5.2 mpt_? -58.23 -25.86 62.19 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.404 -0.816 . . . . 4.2 111.216 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -43.02 85.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.898 0.856 . . . . 0.7 109.603 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.477 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -71.81 -37.85 70.3 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.781 -1.099 . . . . 0.53 109.308 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -59.89 -40.15 87.75 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.027 0.829 . . . . 1.67 109.705 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -68.25 -39.52 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.297 -0.865 . . . . 2.66 109.394 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 tp -58.88 -51.81 68.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.231 0.539 . . . . 0.61 111.205 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.99 -13.38 61.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.363 -0.835 . . . . 0.85 112.123 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.939 0 C-N-CA 120.908 -0.663 . . . . 1.86 111.544 -178.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo . . . . . 0 N--CA 1.456 -0.719 0 N-CA-C 110.887 -0.467 . . . . 1.75 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.69 HG21 ' O ' ' B' ' 45' ' ' LEU . 20.9 t -68.61 167.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 N-CA-C 108.632 -0.877 . . . . 0.83 108.632 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 24.3 p -130.84 155.96 45.84 Favored 'General case' 0 N--CA 1.432 -1.336 0 O-C-N 121.832 -0.542 . . . . 0.68 110.645 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.833 HD23 ' CE1' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -52.2 -28.96 20.3 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 123.554 0.534 . . . . 0.66 111.324 177.285 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -69.01 -37.77 78.88 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.504 -0.316 . . . . 1.22 110.889 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.19 -37.15 86.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.595 -0.52 . . . . 1.45 109.595 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.712 ' HA ' HD23 ' B' ' 45' ' ' LEU . 28.2 t -69.24 -46.37 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.707 -0.679 . . . . 0.55 109.591 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.577 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -54.28 -57.37 11.48 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.89 -1.05 . . . . 0.63 111.572 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -47.71 79.09 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.933 -1.03 . . . . 2.46 112.337 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.631 ' CB ' HD21 ' B' ' 45' ' ' LEU . 27.7 t80 -64.02 -50.48 68.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.514 -0.767 . . . . 1.39 112.489 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.413 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -65.76 -25.08 67.11 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.296 -0.411 . . . . 0.69 111.979 -178.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.48 43.69 10.15 Favored Glycine 0 N--CA 1.438 -1.19 0 C-N-CA 120.085 -1.055 . . . . 1.09 111.614 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.71 165.31 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 N-CA-C 107.912 -1.144 . . . . 0.62 107.912 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.2 m -70.1 159.23 34.27 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.918 -1.142 . . . . 1.31 107.918 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.833 ' CE1' HD23 ' B' ' 6' ' ' LEU . 37.9 t80 -58.62 -50.17 74.81 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-O 120.808 0.337 . . . . 1.58 111.325 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -50.65 -38.33 45.7 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.758 0.423 . . . . 0.89 110.745 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.607 ' O ' HG23 ' B' ' 23' ' ' VAL . 20.7 m -54.73 -41.63 70.62 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.401 1.063 . . . . 0.64 111.657 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.577 HG21 ' HB2' ' B' ' 10' ' ' ALA . 22.0 t -66.19 -52.05 52.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 115.089 -0.959 . . . . 1.17 110.171 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 52.8 m -54.15 -47.44 71.95 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 107.698 -1.223 . . . . 1.13 107.698 176.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.461 ' HD2' HG22 ' B' ' 30' ' ' VAL . 8.0 ttm180 -51.96 -37.89 54.58 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.411 -1.268 . . . . 2.87 112.094 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.607 HG23 ' O ' ' B' ' 19' ' ' THR . 87.2 t -76.7 -40.84 33.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.114 0.483 . . . . 0.86 110.832 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.68 -31.02 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.32 -0.855 . . . . 1.03 110.705 -178.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -92.07 -1.08 57.4 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.426 -0.806 . . . . 1.25 109.885 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 51.05 42.05 28.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 123.874 0.734 . . . . 3.75 109.803 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.27 -178.43 6.6 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.243 -0.89 . . . . 2.36 111.225 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -91.17 178.04 6.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.485 -0.78 . . . . 1.96 112.191 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 62.67 45.87 5.71 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 114.566 -1.197 . . . . 1.34 110.594 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.461 HG22 ' HD2' ' B' ' 22' ' ' ARG . 21.3 t -135.86 116.24 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.867 -0.606 . . . . 1.1 110.416 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.681 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 32.3 m -61.53 156.51 19.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 123.763 0.665 . . . . 0.98 110.172 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.58 68.76 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 122.418 -0.176 . . . . 1.12 111.311 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -55.7 -52.07 65.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 3.25 111.288 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.681 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -55.5 -39.04 69.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.805 -0.634 . . . . 0.77 111.382 179.179 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -70.58 -46.48 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.068 0.461 . . . . 3.59 110.627 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -67.93 -26.39 65.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.959 -0.564 . . . . 1.96 111.474 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.413 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 0.5 OUTLIER -68.26 -47.64 67.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.02 -0.536 . . . . 1.91 110.18 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' B' ' 42' ' ' MET . 94.7 t -66.38 -38.79 82.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 115.248 -0.887 . . . . 0.62 111.0 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -65.71 -34.89 79.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.034 -0.53 . . . . 1.68 109.576 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.74 -44.1 64.68 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.583 0.706 . . . . 0.77 110.593 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' B' ' 45' ' ' LEU . . . -56.62 -29.52 62.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.06 -0.973 . . . . 0.65 110.985 178.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.526 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 44.6 mtt -64.12 -20.62 66.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.003 -0.544 . . . . 0.71 109.861 179.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.7 -52.84 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.397 -0.365 . . . . 0.9 110.857 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -36.89 79.35 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 122.249 1.023 . . . . 1.58 110.25 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.712 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.0 OUTLIER -82.0 -17.9 45.25 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.567 -1.197 . . . . 1.14 112.255 178.871 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.54 43.44 5.85 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.969 -1.123 . . . . 1.24 107.969 -175.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.624 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.1 t80 -54.85 125.23 19.32 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.474 -1.239 . . . . 1.46 110.362 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.4 mm -140.64 98.85 7.03 Favored Pre-proline 0 N--CA 1.444 -0.751 0 N-CA-C 102.542 -3.133 . . . . 1.34 102.542 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -34.51 131.33 0.18 Allowed 'Trans proline' 0 N--CA 1.479 0.655 0 C-N-CA 124.203 3.268 . . . . 0.72 115.495 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -59.97 88.34 0.01 OUTLIER 'General case' 0 C--N 1.343 0.284 0 CA-C-N 114.585 -1.189 . . . . 0.85 110.338 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -47.69 -33.43 6.89 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.738 0.644 . . . . 4.55 112.738 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.55 -60.95 1.96 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.614 -0.721 . . . . 0.73 111.901 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.87 -34.04 75.91 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.825 -0.625 . . . . 0.64 111.828 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -65.55 -31.86 73.14 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.61 0.596 . . . . 1.04 112.61 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -81.52 -24.54 36.57 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.658 -0.867 . . . . 2.45 108.658 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.5 tp -71.63 -48.46 47.75 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.075 -0.966 . . . . 0.65 111.084 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.7 -67.35 0.34 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 120.253 -0.579 . . . . 1.07 110.002 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.674 0 C-N-CA 118.192 -1.956 . . . . 1.6 112.046 174.874 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo . . . . . 0 N--CA 1.456 -0.711 0 CA-C-O 121.32 0.467 . . . . 1.9 111.961 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.512 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 67.4 t -129.94 131.55 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 107.248 -1.39 . . . . 0.99 107.248 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 9' ' ' VAL . 4.0 p -83.49 161.76 21.15 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 112.262 0.467 . . . . 0.72 112.262 -178.29 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.559 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.4 pt? -65.41 -15.93 63.1 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.65 -0.705 . . . . 0.66 109.538 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -75.33 -42.56 54.1 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.705 -0.68 . . . . 0.68 109.443 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.12 -39.63 86.9 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.878 1.323 . . . . 1.86 107.538 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 5' ' ' THR . 32.5 t -65.22 -46.19 91.53 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 CA-C-N 112.462 -2.154 . . . . 0.66 109.538 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.6 96.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.715 -1.13 . . . . 0.65 111.647 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -63.26 -50.96 68.09 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.329 0.585 . . . . 2.41 111.086 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CD2' HD21 ' A' ' 45' ' ' LEU . 25.8 t80 -65.96 -25.78 67.27 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.423 0.527 . . . . 1.68 112.423 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.589 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.93 -25.84 25.88 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.016 -0.735 . . . . 0.71 109.016 -178.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.57 41.24 7.4 Favored Glycine 0 CA--C 1.501 -0.793 0 N-CA-C 109.975 -1.25 . . . . 0.68 109.975 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.589 HG22 ' HB3' ' A' ' 13' ' ' ALA . 33.9 m -141.31 -167.01 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 114.482 -0.859 . . . . 0.62 110.334 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -106.9 151.84 24.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 1.03 109.874 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.559 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 42.4 p90 -49.72 -44.39 48.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.86 -0.609 . . . . 1.38 111.022 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -28.27 69.75 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 111.933 0.346 . . . . 2.08 111.933 176.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -68.12 -42.75 79.76 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 107.842 -1.17 . . . . 0.61 107.842 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.597 ' HA ' HG11 ' A' ' 38' ' ' VAL . 87.9 t -58.86 -50.95 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 114.952 -1.022 . . . . 0.65 111.708 177.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.5 t -64.71 -25.2 67.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.32 0.581 . . . . 1.22 110.563 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.482 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 5.7 ttp180 -69.77 -29.62 67.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.703 -0.68 . . . . 2.65 109.326 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.2 t -86.0 -48.82 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 121.136 0.494 . . . . 0.92 110.844 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.1 t -56.01 -47.06 80.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.616 -0.72 . . . . 0.94 112.762 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.521 ' C ' ' HG2' ' A' ' 26' ' ' GLN . 76.9 m-20 -97.01 -10.53 26.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 114.019 1.118 . . . . 1.24 114.019 -178.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.521 ' HG2' ' C ' ' A' ' 25' ' ' ASN . 2.2 mm-40 -142.68 -117.55 0.1 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.862 0.755 . . . . 4.46 110.659 -177.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 163.27 -37.65 0.0 OUTLIER 'General case' 0 C--O 1.234 0.255 0 O-C-N 124.464 1.103 . . . . 2.66 110.565 -177.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 7.1 m -74.5 157.4 35.6 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.01 -0.995 . . . . 2.08 110.702 -178.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 28' ' ' SER . 57.5 m170 71.08 16.64 6.33 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.856 0.836 . . . . 1.63 109.67 -178.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -132.8 126.26 53.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 CA-C-N 114.913 -1.04 . . . . 1.05 108.325 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 p -61.78 152.25 31.92 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.754 -0.832 . . . . 1.29 108.754 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.88 -6.18 25.64 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.92 -0.582 . . . . 1.09 111.633 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 33' ' ' LYS . 11.6 ttpt -90.85 -45.25 8.9 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.216 -1.031 . . . . 3.08 108.216 -177.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.546 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.9 p -77.29 -24.61 50.95 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.676 -0.693 . . . . 0.98 112.416 -178.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -58.54 -54.86 42.27 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 120.086 -0.646 . . . . 3.63 110.585 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.68 -26.16 68.54 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 113.554 0.946 . . . . 1.72 113.554 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.546 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -85.96 -24.81 26.37 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 119.945 -0.702 . . . . 1.44 110.563 -178.887 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' ' 20' ' ' VAL . 58.6 t -75.79 -38.59 37.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 107.038 -1.467 . . . . 0.68 107.038 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -71.81 -2.71 18.67 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 113.922 -1.49 . . . . 1.7 108.485 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -96.57 -45.11 6.86 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.001 -1.481 . . . . 0.78 107.001 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.39 84.07 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 113.565 -1.652 . . . . 0.79 112.031 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.8 mtt -58.18 -30.9 66.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.372 -0.376 . . . . 0.87 111.787 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.88 -37.87 23.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.383 0.611 . . . . 0.93 109.747 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 32.3 mm-40 -62.07 -56.92 14.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.668 -1.151 . . . . 1.55 112.079 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.534 HD21 ' CD2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -88.11 -11.64 46.41 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.888 -1.505 . . . . 1.79 111.841 -177.852 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 66.81 69.26 0.41 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.158 -0.682 . . . . 2.2 109.158 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.512 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.9 t80 -82.54 125.17 30.83 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 123.592 0.757 . . . . 1.38 112.112 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 118.9 22.85 Favored Pre-proline 0 N--CA 1.454 -0.271 0 N-CA-C 108.737 -0.838 . . . . 1.39 108.737 176.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.3 129.12 32.46 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.385 2.056 . . . . 0.78 112.592 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -77.14 113.14 14.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.69 110.954 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 51' ' ' ARG . 29.4 mmt180 -63.32 -35.94 82.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.732 -0.667 . . . . 4.2 112.327 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -66.57 -44.6 81.85 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 122.278 -0.264 . . . . 0.7 110.47 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.73 -49.24 77.22 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.482 -0.562 . . . . 0.53 109.482 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.401 ' OE1' ' HD3' ' A' ' 51' ' ' ARG . 96.5 mt-30 -55.43 -41.79 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.046 -0.979 . . . . 1.67 110.336 177.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -74.09 -21.01 60.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.492 -0.776 . . . . 2.66 112.363 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -87.91 -46.32 9.5 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 109.211 -0.662 . . . . 0.61 109.211 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.62 -59.18 4.93 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.549 -1.205 . . . . 0.85 110.525 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.575 0 C-N-CA 117.154 -2.45 . . . . 1.86 115.3 178.538 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo . . . . . 0 C--O 1.235 0.356 0 N-CA-C 112.406 0.118 . . . . 1.75 112.406 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.638 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 69.3 t -138.28 161.72 31.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 C-N-CA 120.813 -0.355 . . . . 0.83 110.831 -178.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.464 HG22 ' HB2' ' B' ' 50' ' ' ASN . 43.1 p -132.36 159.35 39.46 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 119.2 -0.429 . . . . 0.68 110.93 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.63 ' HG ' HG11 ' B' ' 20' ' ' VAL . 0.4 OUTLIER -52.87 -27.15 17.18 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.48 0.487 . . . . 0.66 112.036 177.107 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -71.34 -29.39 64.93 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.5 0.666 . . . . 1.22 111.374 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -76.93 -35.07 57.57 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.63 -0.714 . . . . 1.45 109.529 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.623 ' HA ' HD23 ' B' ' 45' ' ' LEU . 57.9 t -68.51 -43.58 83.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 115.21 -0.905 . . . . 0.55 110.694 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.13 74.96 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.656 -0.702 . . . . 0.63 111.022 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.32 -48.28 81.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.095 -0.957 . . . . 2.46 111.293 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.585 ' CB ' HD21 ' B' ' 45' ' ' LEU . 17.9 t80 -64.38 -53.93 40.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 113.172 0.805 . . . . 1.39 113.172 -178.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.985 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -63.9 -27.45 69.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.373 0.606 . . . . 0.69 110.333 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.24 50.72 3.76 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.25 -0.74 . . . . 1.09 111.25 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 22.8 m -140.55 159.93 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 109.121 -0.696 . . . . 0.62 109.121 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.448 ' O ' ' HB ' ' B' ' 19' ' ' THR . 66.4 m -67.93 154.55 41.34 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.41 -0.589 . . . . 1.31 109.41 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.561 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -59.71 -39.09 83.48 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.959 -0.386 . . . . 1.58 109.959 -178.663 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -56.34 -38.66 71.65 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 110.02 -0.363 . . . . 0.89 110.02 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' B' ' 16' ' ' SER . 94.0 m -55.13 -38.17 67.87 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.599 -0.728 . . . . 0.64 111.22 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.63 HG11 ' HG ' ' B' ' 6' ' ' LEU . 8.8 t -66.12 -47.85 83.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.875 -0.602 . . . . 1.17 109.85 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 12.7 t -52.02 -50.11 62.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.415 -1.328 . . . . 1.13 107.415 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' B' ' 22' ' ' ARG . 29.1 mtm180 -53.16 -39.99 63.97 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 114.768 -1.106 . . . . 2.87 112.192 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -75.8 -42.15 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.86 110.66 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.51 -40.4 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.47 0.653 . . . . 1.03 110.692 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -81.99 -4.22 56.22 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.381 -0.827 . . . . 1.25 111.452 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.456 ' OE1' ' HD3' ' B' ' 35' ' ' ARG . 3.7 mm100 52.5 39.8 28.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.243 0.544 . . . . 3.75 109.818 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.37 174.1 11.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.951 -1.022 . . . . 2.36 111.437 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 15.1 m -84.23 173.42 11.02 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.317 -0.856 . . . . 1.96 110.944 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' B' ' 28' ' ' SER . 56.3 m170 71.92 30.18 2.29 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.371 0.668 . . . . 1.34 111.295 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.44 123.67 66.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.189 -0.46 . . . . 1.1 110.104 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.532 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 53.4 m -67.81 154.85 40.65 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 123.776 0.673 . . . . 0.98 109.567 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.02 -48.17 83.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.062 0.458 . . . . 1.12 111.385 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -59.45 -54.19 49.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.569 -0.741 . . . . 3.25 110.957 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.3 OUTLIER -55.5 -34.22 64.42 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.79 -0.641 . . . . 0.77 111.225 178.861 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.456 ' HD3' ' OE1' ' B' ' 26' ' ' GLN . 8.5 ttm180 -67.69 -56.33 9.72 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 120.873 0.368 . . . . 3.59 111.126 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -61.47 -28.97 69.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.933 -0.576 . . . . 1.96 111.082 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.985 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 18.7 ttmm -63.1 -40.26 97.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.319 -0.855 . . . . 1.91 110.746 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' B' ' 42' ' ' MET . 93.5 t -75.82 -39.19 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 115.314 -0.857 . . . . 0.62 110.163 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.29 -38.28 90.56 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.552 -0.536 . . . . 1.68 109.552 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.26 -47.43 67.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.026 -0.534 . . . . 0.77 111.311 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.88 -28.71 24.33 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.952 -0.567 . . . . 0.65 111.429 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.602 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 44.5 mtt -64.11 -20.91 66.3 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.462 -0.79 . . . . 0.71 110.428 -178.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.68 -49.11 7.06 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 112.236 0.458 . . . . 0.9 112.236 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.3 -47.38 83.86 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.546 -0.752 . . . . 1.58 110.509 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.0 OUTLIER -72.91 -22.78 60.68 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.425 -1.261 . . . . 1.14 112.501 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.415 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.2 OUTLIER 67.61 40.36 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.195 -1.409 . . . . 1.24 107.195 -175.266 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.638 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.8 t80 -49.72 116.92 1.98 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 114.851 -1.068 . . . . 1.46 111.181 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 46' ' ' ASN . 42.6 mm -130.81 99.03 18.72 Favored Pre-proline 0 N--CA 1.44 -0.966 0 N-CA-C 103.284 -2.858 . . . . 1.34 103.284 177.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' PRO . . . . . 0.48 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 3.5 Cg_exo -30.45 127.08 0.07 OUTLIER 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 125.047 3.831 . . . . 0.72 116.513 -175.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.464 ' HB2' HG22 ' B' ' 5' ' ' THR . 55.5 t-20 -66.55 79.05 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.594 -1.185 . . . . 0.85 111.181 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.484 ' NH1' ' HG2' ' B' ' 55' ' ' GLN . 3.0 mmp_? -48.39 -31.22 5.88 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 114.05 1.13 . . . . 4.55 114.05 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 3.5 m -67.36 -57.91 5.74 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.598 0.713 . . . . 0.73 110.378 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.86 71.62 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.882 -0.599 . . . . 0.64 110.758 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.48 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 20.2 mt-30 -66.8 -21.67 66.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.84 -0.618 . . . . 1.04 111.946 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.484 ' HG2' ' NH1' ' B' ' 51' ' ' ARG . 1.6 mm100 -92.84 -24.3 18.54 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 121.894 -0.504 . . . . 2.45 110.185 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' B' ' 56' ' ' LEU . 2.7 tp -79.07 -38.56 36.06 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.281 -1.007 . . . . 0.65 108.281 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.61 0.83 41.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.433 -0.803 . . . . 1.07 111.664 -178.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.359 0 CA-C-O 119.481 -0.622 . . . . 1.6 114.633 178.693 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo . . . . . 0 N--CA 1.45 -1.076 0 CA-C-O 121.086 0.369 . . . . 1.9 112.32 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.702 HG11 ' HG ' ' A' ' 45' ' ' LEU . 75.6 t -127.2 131.42 70.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 107.614 -1.254 . . . . 0.99 107.614 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 9' ' ' VAL . 4.0 p -88.05 167.08 13.99 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 113.371 0.878 . . . . 0.72 113.371 -177.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.546 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.1 pt? -67.66 -16.93 64.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.541 -1.209 . . . . 0.66 108.908 178.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -76.3 -42.14 46.3 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.745 -0.661 . . . . 0.68 109.45 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.57 -42.45 96.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.574 -1.269 . . . . 1.86 107.574 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 5' ' ' THR . 37.4 t -62.7 -46.65 95.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 112.736 -2.029 . . . . 0.66 110.017 178.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.79 -41.43 86.68 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.028 -0.987 . . . . 0.65 110.12 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.22 -48.48 67.69 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.948 -0.569 . . . . 2.41 110.331 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.582 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.4 t80 -62.17 -27.66 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.539 -0.755 . . . . 1.68 110.899 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -94.7 -19.3 20.52 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 115.551 -0.75 . . . . 0.71 111.188 -177.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.63 38.06 21.61 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.924 -0.87 . . . . 0.68 110.924 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 35.9 m -132.81 -169.23 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.84 -0.68 . . . . 0.62 110.527 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.3 p -99.9 150.43 22.39 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.223 -1.029 . . . . 1.03 108.223 177.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.546 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 44.3 p90 -48.3 -39.17 20.91 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 123.651 0.594 . . . . 1.38 110.02 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -30.77 71.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.114 -0.494 . . . . 2.08 112.129 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.425 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 53.3 m -63.95 -41.38 97.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.477 0.656 . . . . 0.61 109.477 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' ' 24' ' ' VAL . 62.0 t -58.9 -48.32 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 114.858 -1.065 . . . . 0.65 110.824 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -67.63 -25.27 65.66 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 121.09 0.471 . . . . 1.22 110.126 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -67.7 -37.03 81.73 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 109.216 -0.661 . . . . 2.65 109.216 179.324 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.3 t -81.47 -48.95 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 112.022 0.379 . . . . 0.92 112.022 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 20' ' ' VAL . 41.1 t -56.42 -44.38 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 115.912 -0.586 . . . . 0.94 111.22 -178.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -85.83 -37.04 19.63 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.326 0.862 . . . . 1.24 113.326 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.411 ' HB2' ' H ' ' A' ' 27' ' ' ALA . 37.5 mt-30 -139.31 -92.7 0.18 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.737 1.014 . . . . 4.46 113.737 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' A' ' 26' ' ' GLN . . . 102.02 120.76 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.622 1.969 . . . . 2.66 108.931 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 23.4 p 159.57 -0.59 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.561 1.172 . . . . 2.08 109.982 -177.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -131.9 15.66 4.75 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.504 -1.68 . . . . 1.63 106.641 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -138.29 126.36 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 114.048 -1.433 . . . . 1.05 108.703 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.7 p -63.26 146.66 52.95 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 123.76 0.663 . . . . 1.29 110.779 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.5 -37.83 70.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.672 . . . . 1.09 111.452 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -51.54 -45.36 62.97 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.042 -0.526 . . . . 3.08 111.301 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -89.51 -33.74 16.65 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.856 -0.611 . . . . 0.98 112.115 -179.139 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -56.76 -57.61 11.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.83 0.348 . . . . 3.63 111.767 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.99 -18.41 65.27 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.608 0.718 . . . . 1.72 110.06 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -83.55 -28.95 28.24 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.068 -0.969 . . . . 1.44 110.259 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 34' ' ' THR . 88.9 t -78.35 -40.99 25.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.267 0.556 . . . . 0.68 109.663 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.05 -32.94 71.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.277 -0.874 . . . . 1.7 109.054 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.622 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.43 -33.43 48.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.571 -1.195 . . . . 0.78 111.011 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.665 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -60.56 -42.13 95.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 0.79 109.688 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.6 mtt -57.71 -28.75 64.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.726 -1.125 . . . . 0.87 113.256 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.77 -30.26 29.05 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.643 0.735 . . . . 0.93 110.05 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.622 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 57.1 mm-40 -67.9 -58.98 3.66 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.269 -1.332 . . . . 1.55 112.503 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.702 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -88.37 -4.54 58.64 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.483 -0.781 . . . . 1.79 111.839 -179.331 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 28.1 m120 71.28 70.66 0.17 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.575 0.547 . . . . 2.2 111.721 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.556 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 17.8 t80 -84.79 127.97 34.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.689 -0.687 . . . . 1.38 111.632 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.12 106.16 36.4 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 115.958 -0.564 . . . . 1.39 109.72 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -54.69 120.92 8.89 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.889 2.392 . . . . 0.78 112.03 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -77.9 103.5 7.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.566 . . . . 0.69 110.639 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 23.0 mmt180 -66.26 -25.86 67.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.14 -0.482 . . . . 4.2 111.307 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.86 -37.94 82.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.801 -0.815 . . . . 0.7 108.801 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -76.76 -39.6 51.09 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.924 -1.035 . . . . 0.53 109.335 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -60.6 -34.52 74.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.903 -1.044 . . . . 1.67 109.917 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 51.9 mt-30 -75.89 -38.28 57.98 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.994 -0.372 . . . . 2.66 109.994 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.442 HD22 HD22 ' B' ' 56' ' ' LEU . 7.4 tp -61.14 -53.76 52.97 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.738 -0.665 . . . . 0.61 112.144 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.19 -21.45 24.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.375 -0.375 . . . . 0.85 111.883 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.893 0 C-N-CA 120.854 -0.689 . . . . 1.86 113.642 -178.495 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo . . . . . 0 N--CA 1.457 -0.625 0 N-CA-C 110.577 -0.586 . . . . 1.75 110.577 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.707 HG21 ' O ' ' B' ' 45' ' ' LEU . 74.4 t -95.78 160.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.699 -0.482 . . . . 0.83 109.699 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.439 ' N ' HG12 ' B' ' 4' ' ' VAL . 14.0 p -134.34 159.85 39.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.741 -0.663 . . . . 0.68 109.959 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.672 ' HG ' HG11 ' B' ' 20' ' ' VAL . 3.8 tt -56.46 -26.25 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.174 0.511 . . . . 0.66 109.776 177.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -65.55 -39.74 92.05 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.133 -0.485 . . . . 1.22 110.668 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.7 -40.1 95.96 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.827 -0.805 . . . . 1.45 108.827 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.591 ' HA ' HD23 ' B' ' 45' ' ' LEU . 38.4 t -62.99 -43.63 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 CA-C-N 114.386 -1.279 . . . . 0.55 109.507 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.746 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.58 -59.73 4.57 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.524 -0.762 . . . . 0.63 111.672 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -54.55 -51.84 63.96 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.649 -1.159 . . . . 2.46 112.136 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.567 ' CB ' HD21 ' B' ' 45' ' ' LEU . 35.1 t80 -62.1 -50.12 73.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.383 0.512 . . . . 1.39 112.383 -178.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -63.4 -21.65 66.41 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.806 -0.634 . . . . 0.69 111.36 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.48 48.57 7.96 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.437 -0.887 . . . . 1.09 111.091 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.458 HG12 HG22 ' B' ' 34' ' ' THR . 22.8 m -139.12 169.17 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 108.579 -0.897 . . . . 0.62 108.579 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 51.4 p -81.52 164.54 21.9 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.307 -0.627 . . . . 1.31 109.307 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.514 ' HE1' HD22 ' B' ' 6' ' ' LEU . 1.9 t80 -53.96 -54.34 40.27 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 123.725 0.81 . . . . 1.58 111.043 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.475 ' HG3' ' HG3' ' B' ' 22' ' ' ARG . 48.5 tp60 -54.74 -35.86 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.738 -0.665 . . . . 0.89 111.34 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -59.06 -42.74 91.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.459 0.647 . . . . 0.64 111.114 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.746 HG21 ' HB2' ' B' ' 10' ' ' ALA . 3.4 t -63.34 -48.37 87.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.162 -0.926 . . . . 1.17 110.226 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.5 m -62.6 -46.05 90.06 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.544 -0.91 . . . . 1.13 108.544 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.57 ' HB3' ' HB2' ' B' ' 27' ' ' ALA . 6.4 mtt-85 -50.66 -45.09 57.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.005 -1.452 . . . . 2.87 111.981 178.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.8 t -76.11 -25.74 17.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-O 121.433 0.635 . . . . 0.86 110.573 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -23.83 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 115.59 -0.732 . . . . 1.03 109.689 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -103.11 -91.01 0.36 Allowed 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 116.078 -0.51 . . . . 1.25 111.596 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -165.94 52.08 0.09 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.87 0.693 . . . . 3.75 112.87 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.57 ' HB2' ' HB3' ' B' ' 22' ' ' ARG . . . -65.98 110.13 2.8 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.876 0.695 . . . . 2.36 112.876 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.5 m -72.51 -52.47 15.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.243 -0.89 . . . . 1.96 112.609 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -88.22 67.6 8.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.49 0.662 . . . . 1.34 111.791 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 37.7 t -143.58 141.72 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.542 -1.281 . . . . 1.1 107.542 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -66.5 151.22 47.68 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.852 -0.339 . . . . 0.98 110.119 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.15 98.01 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.075 -0.25 . . . . 1.12 111.318 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -52.79 -55.77 20.52 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.822 0.344 . . . . 3.25 111.471 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.505 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -57.8 -37.29 73.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.643 -0.708 . . . . 0.77 111.833 -178.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -66.82 -49.1 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.971 0.415 . . . . 3.59 110.801 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -64.85 -34.94 79.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.806 -0.634 . . . . 1.96 111.283 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' B' ' 13' ' ' ALA . 4.0 tppp? -63.11 -42.29 99.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.95 -0.568 . . . . 1.91 111.818 -178.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.578 HG13 HG13 ' B' ' 20' ' ' VAL . 62.1 t -65.69 -42.46 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.634 -0.257 . . . . 0.62 111.345 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.11 -30.93 70.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.905 0.383 . . . . 1.68 109.974 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.21 -46.17 35.64 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.125 -0.489 . . . . 0.77 110.935 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.443 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -54.02 -25.34 20.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.264 0.554 . . . . 0.65 111.418 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 62.2 mtt -64.83 -20.86 66.63 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.806 -0.633 . . . . 0.71 110.478 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.01 -51.43 5.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.626 -0.715 . . . . 0.9 110.838 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.69 -51.13 68.31 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.696 0.76 . . . . 1.58 111.297 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.707 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -73.69 -14.55 61.17 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.943 -1.026 . . . . 1.14 112.339 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.82 43.33 5.51 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 107.607 -1.257 . . . . 1.24 107.607 -175.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.608 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.9 t80 -58.65 127.42 32.1 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.256 -0.884 . . . . 1.46 110.891 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 74.2 mt -136.34 105.3 9.34 Favored Pre-proline 0 N--CA 1.438 -1.028 0 N-CA-C 104.515 -2.402 . . . . 1.34 104.515 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -34.81 127.79 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.903 3.069 . . . . 0.72 114.881 -176.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -63.05 90.54 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.03 -0.986 . . . . 0.85 109.599 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -51.89 -22.74 4.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.843 1.053 . . . . 4.55 113.843 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 19.6 m -82.15 -57.06 3.56 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.126 -0.63 . . . . 0.73 110.666 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.52 74.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.791 -0.64 . . . . 0.64 110.382 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -71.04 -26.51 63.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 1.04 110.385 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -75.86 -21.73 56.92 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.105 -1.072 . . . . 2.45 108.105 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -84.02 -44.83 13.73 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.089 -1.414 . . . . 0.65 110.412 179.704 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 -2.94 18.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.199 0.444 . . . . 1.07 112.199 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.372 0 C-N-CA 120.426 -0.892 . . . . 1.6 113.858 179.313 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 ptm . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 110.205 -0.294 . . . . 6.94 110.205 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -104.08 130.49 23.29 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.617 0.246 . . . . 5.85 110.652 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.7 139.07 43.08 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.001 1.801 . . . . 1.9 110.886 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.563 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 26.9 t -105.94 167.76 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 106.469 -1.678 . . . . 0.99 106.469 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.4 p -139.08 165.18 27.81 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 118.042 0.383 . . . . 0.72 110.074 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.537 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.3 pt? -61.64 -16.87 52.43 Favored 'General case' 0 C--N 1.313 -0.986 0 O-C-N 124.238 0.961 . . . . 0.66 109.602 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -79.14 -41.25 28.96 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.061 -0.518 . . . . 0.68 110.152 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.87 -39.01 90.42 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.162 -1.051 . . . . 1.86 108.162 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 5' ' ' THR . 36.4 t -63.34 -47.16 93.28 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 112.512 -2.131 . . . . 0.66 109.411 178.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -64.16 -38.7 91.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.408 -0.814 . . . . 0.65 112.131 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -68.93 -45.28 71.22 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.304 -0.407 . . . . 2.41 110.835 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.405 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 40.5 t80 -72.54 -25.87 61.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.39 . . . . 1.68 111.694 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.578 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -89.1 -16.74 30.77 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.218 -0.66 . . . . 0.71 109.218 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.52 41.16 66.72 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.565 -1.014 . . . . 0.68 110.565 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.578 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.1 m -131.16 -176.01 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 114.517 -0.841 . . . . 0.62 109.733 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -92.64 150.01 20.97 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 107.454 -1.313 . . . . 1.03 107.454 177.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.537 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.2 p90 -54.09 -39.46 66.38 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.772 -0.771 . . . . 1.38 110.611 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -54.71 -40.28 69.03 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.313 -0.403 . . . . 2.08 110.902 175.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.596 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 92.4 m -62.3 -41.34 98.44 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 116.149 -0.478 . . . . 0.61 109.824 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.708 ' HA ' HG11 ' A' ' 38' ' ' VAL . 55.4 t -59.47 -52.73 57.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.27 -0.877 . . . . 0.65 110.307 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 11.8 m -61.06 -31.01 70.68 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.457 -0.338 . . . . 1.22 111.48 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.596 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 15.2 mtm180 -67.63 -30.51 70.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.988 -0.745 . . . . 2.65 108.988 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.641 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 66.7 t -81.51 -42.16 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 114.938 -1.028 . . . . 0.92 109.547 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 20' ' ' VAL . 21.4 t -61.55 -45.35 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.492 0.663 . . . . 0.94 109.933 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 21' ' ' SER . 2.1 m-80 -65.87 -33.08 75.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.131 -0.94 . . . . 1.24 110.922 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.641 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 20.9 mt-30 63.3 51.35 2.7 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.762 -0.654 . . . . 4.46 111.703 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.53 -160.69 0.73 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.253 0.549 . . . . 2.66 111.918 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.16 176.02 9.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.566 -0.743 . . . . 2.08 110.573 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.431 ' HB3' ' H72' ' C' ' 3' ' ' ' DT' . 48.6 m170 65.51 31.51 10.09 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.733 0.778 . . . . 1.63 109.671 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.501 ' CG2' ' HB3' ' A' ' 22' ' ' ARG . 76.4 t -137.83 124.88 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 114.883 -1.053 . . . . 1.05 109.21 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.4 p -85.47 146.43 26.95 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.459 -0.571 . . . . 1.29 109.459 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.34 -33.19 69.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.023 0.379 . . . . 1.09 112.023 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -57.66 -49.86 75.09 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.054 0.454 . . . . 3.08 111.458 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -69.55 -35.66 75.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.577 -0.283 . . . . 0.98 111.34 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HG2' HG13 ' A' ' 23' ' ' VAL . 16.5 ttp180 -55.59 -46.54 77.25 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.222 0.453 . . . . 3.63 112.222 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 39.9 mt-10 -74.19 -28.43 61.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 113.094 0.776 . . . . 1.72 113.094 -177.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -79.59 -27.33 41.13 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.188 -0.605 . . . . 1.44 110.291 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.708 HG11 ' HA ' ' A' ' 20' ' ' VAL . 80.8 t -82.26 -39.85 16.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.571 0.701 . . . . 0.68 109.47 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.61 -29.25 70.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.374 -0.83 . . . . 1.7 109.244 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -69.8 -40.42 75.97 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.817 -1.083 . . . . 0.78 110.771 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.73 -36.78 85.39 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.539 -0.755 . . . . 0.79 111.411 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 24.3 mtt -64.43 -24.97 67.81 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.012 -0.54 . . . . 0.87 111.945 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.3 -34.74 28.51 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.712 0.767 . . . . 0.93 109.72 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 69.7 mm-40 -67.37 -56.47 9.56 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.091 -1.413 . . . . 1.55 112.838 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.459 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -85.8 -9.7 56.65 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.186 -1.37 . . . . 1.79 112.159 -177.37 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.4 m120 66.12 61.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 123.675 0.609 . . . . 2.2 109.756 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.563 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.1 t80 -78.89 124.44 28.24 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.955 -0.566 . . . . 1.38 111.902 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 mp -111.77 111.95 53.79 Favored Pre-proline 0 N--CA 1.45 -0.471 0 CA-C-N 115.664 -0.698 . . . . 1.39 109.423 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.05 125.07 14.54 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.93 2.42 . . . . 0.78 112.604 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -76.71 101.73 5.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.807 -0.633 . . . . 0.69 111.112 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -62.51 -22.58 66.39 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.355 -0.384 . . . . 4.2 112.018 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.443 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -80.27 -29.94 38.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.258 0.551 . . . . 0.7 109.777 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.551 ' HB3' " C5'" ' D' ' 13' ' ' ' DC' . . . -76.37 -40.46 50.98 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.095 -0.706 . . . . 0.53 109.095 177.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -61.35 -27.81 68.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.076 -0.965 . . . . 1.67 109.538 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -83.26 -30.7 27.43 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.473 -0.785 . . . . 2.66 110.235 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.789 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 7.6 tp -69.0 -43.69 74.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.61 110.199 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.67 -24.9 25.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.603 -0.726 . . . . 0.85 111.719 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.96 116.26 4.22 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.383 -0.687 . . . . 1.86 111.383 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -73.6 119.41 17.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.329 0.585 . . . . 6.17 112.154 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 52.64 46.29 27.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.513 -1.221 . . . . 6.76 111.94 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.2 m -77.09 -43.69 33.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.024 0.44 . . . . 7.52 109.89 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 117.965 -1.017 . . . . 9.27 108.721 178.683 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.4 tpp . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.838 -0.43 . . . . 6.54 109.838 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -75.02 -48.01 4.56 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 112.557 0.577 . . . . 5.5 112.557 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -74.24 142.94 31.13 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.743 1.628 . . . . 1.75 111.032 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.696 HG21 ' O ' ' B' ' 45' ' ' LEU . 55.2 t -71.24 158.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.51 -0.313 . . . . 0.83 110.909 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.755 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 10.7 p -127.73 157.35 40.57 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.029 0.442 . . . . 0.68 110.159 -177.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.557 HD22 ' OP2' ' C' ' 13' ' ' ' DA' . 0.9 OUTLIER -55.04 -27.55 45.45 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 121.276 -0.89 . . . . 0.66 111.428 177.578 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.563 ' CE2' " H2'" ' C' ' 12' ' ' ' DG' . 26.2 m-85 -66.19 -35.76 81.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.702 -0.681 . . . . 1.22 110.021 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -69.51 -35.39 75.46 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.34 0.591 . . . . 1.45 109.8 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.605 ' HA ' HD23 ' B' ' 45' ' ' LEU . 43.7 t -68.17 -43.3 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.938 -1.028 . . . . 0.55 111.008 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.503 ' HB2' HG11 ' B' ' 20' ' ' VAL . . . -60.87 -52.02 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.63 110.766 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -59.12 -49.06 79.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.214 -0.903 . . . . 2.46 111.834 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.566 ' CB ' HD21 ' B' ' 45' ' ' LEU . 29.5 t80 -60.02 -51.06 71.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.717 0.636 . . . . 1.39 112.717 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.919 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -68.01 -16.9 64.25 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 120.681 0.276 . . . . 0.69 111.031 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.14 46.26 8.35 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.942 -1.123 . . . . 1.09 112.44 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.8 m -133.41 170.44 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 109.054 -0.721 . . . . 0.62 109.054 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 62.7 p -70.82 158.98 35.42 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.296 -1.002 . . . . 1.31 108.296 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -14.11 62.09 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.911 0.386 . . . . 1.58 111.503 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -85.71 -33.56 21.47 Favored 'General case' 0 CA--C 1.516 -0.347 0 O-C-N 121.155 -0.966 . . . . 0.89 108.571 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.0 m -56.15 -44.63 79.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.376 -1.284 . . . . 0.64 111.203 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' B' ' 10' ' ' ALA . 7.7 p -61.8 -46.82 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.16 0 C-N-CA 120.956 -0.298 . . . . 1.17 110.633 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.415 ' OG ' ' H73' ' C' ' 14' ' ' ' DT' . 43.1 m -61.26 -47.07 87.73 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 108.444 -0.947 . . . . 1.13 108.444 177.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' B' ' 22' ' ' ARG . 24.2 mtm-85 -50.96 -42.05 59.7 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.478 -1.237 . . . . 2.87 112.354 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.401 HG22 HG11 ' B' ' 30' ' ' VAL . 66.7 t -71.54 -36.19 59.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.283 0.564 . . . . 0.86 110.14 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.9 t -66.75 -30.35 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 CA-C-N 115.717 -0.674 . . . . 1.03 110.677 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.519 HD21 ' P ' ' C' ' 14' ' ' ' DT' . 10.9 m-80 -92.78 -1.46 56.78 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.418 -0.356 . . . . 1.25 110.947 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 55.39 42.77 29.76 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.292 0.567 . . . . 3.75 110.124 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.74 158.61 24.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.534 -0.757 . . . . 2.36 111.826 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -82.43 -17.51 45.11 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.388 0.613 . . . . 1.96 111.284 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.432 ' HA ' ' OP2' ' D' ' 3' ' ' ' DT' . 49.3 m170 -85.08 39.27 0.76 Allowed 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.552 -0.749 . . . . 1.34 109.767 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.401 HG11 HG22 ' B' ' 23' ' ' VAL . 6.6 t -135.56 130.05 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.287 0.565 . . . . 1.1 111.526 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.474 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 49.3 m -77.97 157.46 29.68 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.064 -0.971 . . . . 0.98 109.577 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.53 -54.56 42.48 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.107 0.48 . . . . 1.12 111.75 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -52.18 -55.49 20.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.449 -0.796 . . . . 3.25 110.524 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.474 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -53.4 -39.09 64.01 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.718 -0.674 . . . . 0.77 111.654 -179.486 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -68.31 -43.13 78.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.181 0.515 . . . . 3.59 111.074 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -71.04 -31.28 67.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.726 -0.67 . . . . 1.96 111.215 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.919 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 16.2 ttmm -64.67 -48.49 74.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.532 0.682 . . . . 1.91 110.557 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.577 ' O ' ' HG3' ' B' ' 42' ' ' MET . 96.5 t -69.83 -35.42 64.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.29 -0.868 . . . . 0.62 111.615 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -70.72 -31.12 67.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.865 0.364 . . . . 1.68 110.352 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.97 -45.97 54.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.02 -0.536 . . . . 0.77 110.006 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.23 -27.38 34.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.23 -0.895 . . . . 0.65 110.976 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.577 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 51.0 mtt -64.44 -19.87 65.81 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.001 -0.545 . . . . 0.71 111.586 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.39 -53.38 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.9 110.408 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.28 -50.47 72.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.13 -0.941 . . . . 1.58 110.381 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.696 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -69.45 -22.99 63.61 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.939 -1.028 . . . . 1.14 112.212 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.538 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.9 OUTLIER 62.89 43.28 6.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.107 -1.442 . . . . 1.24 107.107 -175.222 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.65 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.2 t80 -54.55 122.04 9.7 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.678 -1.146 . . . . 1.46 110.675 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 46' ' ' ASN . 13.6 mm -133.58 97.01 16.22 Favored Pre-proline 0 N--CA 1.435 -1.212 0 N-CA-C 104.02 -2.585 . . . . 1.34 104.02 178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.474 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 1.2 Cg_exo -30.52 129.55 0.06 OUTLIER 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 125.078 3.852 . . . . 0.72 115.789 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.454 HD22 " H5'" ' C' ' 12' ' ' ' DG' . 60.2 t-20 -67.68 86.38 0.21 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.452 -0.795 . . . . 0.85 111.206 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -24.93 0.86 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.814 1.042 . . . . 4.55 113.814 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.1 m -76.88 -57.49 3.82 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 121.761 -0.587 . . . . 0.73 111.348 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.19 -37.08 64.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.954 -0.566 . . . . 0.64 110.628 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.474 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 6.0 mt-30 -58.84 -39.43 81.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 1.04 112.054 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -67.6 -48.15 67.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.442 -1.318 . . . . 2.45 107.442 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.685 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.1 tp -53.64 -42.02 67.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.141 -0.936 . . . . 0.65 111.121 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.75 -5.16 57.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.584 -0.28 . . . . 1.07 111.369 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 161.92 -74.79 0.19 Allowed Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.227 -0.987 . . . . 1.6 113.739 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -149.79 170.23 19.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.572 -0.369 . . . . 5.04 110.471 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -82.67 9.98 8.43 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.867 0.321 . . . . 6.57 111.867 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.36 -68.28 0.39 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.164 0.506 . . . . 6.55 109.943 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.559 -0.734 . . . . 8.33 109.288 179.347 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . 0.413 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.499 -1.558 0 C3'-C2'-C1' 99.085 -2.582 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.413 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.049 0 C3'-C2'-C1' 99.37 -2.379 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.451 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-C2' 103.634 -2.242 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.457 ' C4 ' ' C4 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-C2' 103.8 -2.091 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.523 ' C2 ' ' C5 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C3'-C2'-C1' 99.265 -2.454 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.641 " C2'" ' H71' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.165 0 O4'-C1'-C2' 103.987 -1.921 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.641 ' H71' " C2'" ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.081 0 C3'-C2'-C1' 99.732 -2.12 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 C3'-C2'-C1' 99.38 -2.372 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.891 0 C3'-C2'-C1' 99.595 -2.218 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.425 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 98.737 -2.831 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.5 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.773 0 O4'-C1'-C2' 103.881 -2.017 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.789 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.5 -1.482 0 C3'-C2'-C1' 99.024 -2.625 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.755 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.588 -1.622 0 C3'-C2'-C1' 99.868 -2.023 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.557 ' OP2' HD22 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C3'-C2'-C1' 99.458 -2.316 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.519 ' P ' HD21 ' B' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C3'-C2'-C1' 100.104 -1.855 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . 0.411 " H1'" " H5'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.852 0 O4'-C1'-C2' 104.175 -1.75 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.411 " H5'" " H1'" ' C' ' 15' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.885 0 O4'-C1'-C2' 103.896 -2.004 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.405 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.502 -1.332 0 C3'-C2'-C1' 99.868 -2.023 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.888 0 C3'-C2'-C1' 99.831 -2.049 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.795 0 C3'-C2'-C1' 100.023 -1.912 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.501 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-C1' 99.665 -2.168 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.501 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.181 0 C3'-C2'-C1' 99.641 -2.185 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.494 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.925 0 C3'-C2'-C1' 99.19 -2.507 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . 0.411 H2'' ' H8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.967 0 C4'-C3'-C2' 101.886 -1.314 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.451 ' C6 ' ' N6 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.433 -0.446 0 C4'-C3'-C2' 102.067 -1.133 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.451 ' N6 ' ' C6 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.62 0 C5'-C4'-C3' 117.068 1.579 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.572 ' C6 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C3'-C2'-C1' 104.141 1.029 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.572 ' H72' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.41 -0.76 0 C4'-C3'-C2' 104.48 1.28 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.558 ' C8 ' ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 C5'-C4'-C3' 118.073 2.249 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.558 ' H72' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 P--O3' 1.619 0.976 0 O4'-C1'-C2' 107.112 0.92 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.456 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C3'-C2'-C1' 104.718 1.442 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.449 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C3'-C2'-C1' 104.915 1.582 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.449 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C5'-C4'-O4' 108.569 -0.519 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.425 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 C3'-C2'-C1' 104.699 1.428 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.518 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 105.363 1.902 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.685 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C3'-C2'-C1' 100.685 -1.439 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.551 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C5'-C4'-C3' 117.729 2.02 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.485 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.621 1.155 0 C5'-C4'-O4' 108.008 -0.87 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.485 ' C6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 C3'-C2'-C1' 105.051 1.679 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.532 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C5'-C4'-C3' 115.914 0.809 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.532 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.05 0 C5'-C4'-O4' 107.977 -0.89 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.512 ' C6 ' ' N6 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C4'-C3'-C2' 102.045 -1.155 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.512 ' N6 ' ' C6 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 P--O3' 1.618 0.904 0 C5'-C4'-C3' 115.932 0.821 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.443 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C5'-C4'-O4' 108.594 -0.504 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.414 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C5'-C4'-C3' 116.216 1.011 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . 0.414 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 107.141 0.946 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 109.804 -0.443 . . . . 6.94 109.804 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HE2' ' HB3' ' A' ' 2' ' ' LYS . 5.9 mtpt -111.58 126.39 28.66 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 110.111 -0.329 . . . . 5.85 110.111 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -63.98 164.15 23.04 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.641 1.561 . . . . 1.9 111.308 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.579 HG21 ' O ' ' A' ' 45' ' ' LEU . 59.0 t -112.53 123.19 67.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 109.247 -0.649 . . . . 0.99 109.247 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.638 HG21 ' OP1' ' D' ' 12' ' ' ' DG' . 3.7 p -91.34 166.7 12.77 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 113.433 0.901 . . . . 0.72 113.433 -177.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.8 -16.32 64.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.058 -1.428 . . . . 0.66 109.362 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -79.01 -38.76 35.84 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.386 -0.598 . . . . 0.68 109.386 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.7 -41.3 96.12 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 107.31 -1.367 . . . . 1.86 107.31 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 5' ' ' THR . 44.2 t -62.37 -46.09 97.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 112.549 -2.114 . . . . 0.66 109.634 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -62.98 -39.34 94.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.82 -0.627 . . . . 0.65 111.773 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -66.78 -49.09 67.02 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.635 -0.711 . . . . 2.41 110.394 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.502 ' HB3' HD11 ' A' ' 45' ' ' LEU . 39.1 t80 -68.67 -22.55 64.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 1.68 111.165 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -91.78 -16.99 26.03 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.643 -0.503 . . . . 0.71 109.643 -178.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.18 41.49 46.79 Favored Glycine 0 CA--C 1.5 -0.904 0 N-CA-C 110.319 -1.113 . . . . 0.68 110.319 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.476 HG22 ' HB3' ' A' ' 13' ' ' ALA . 34.0 m -137.69 -174.58 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 CA-C-N 114.582 -0.809 . . . . 0.62 109.003 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.1 m -89.53 171.33 9.78 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.72 -0.845 . . . . 1.03 108.72 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.404 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 49.3 p90 -74.71 -36.04 62.71 Favored 'General case' 0 C--N 1.311 -1.09 0 C-N-CA 119.198 -1.001 . . . . 1.38 109.459 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.632 ' HG2' ' N4 ' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -67.83 -25.65 65.66 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.165 -0.925 . . . . 2.08 110.747 176.429 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -64.56 -46.25 83.59 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.624 -0.88 . . . . 0.61 108.624 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 24' ' ' VAL . 92.8 t -57.81 -50.83 76.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.041 -1.436 . . . . 0.65 110.997 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.3 t -63.59 -28.77 70.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.534 -0.757 . . . . 1.22 110.487 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -68.75 -31.84 71.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.726 -0.67 . . . . 2.65 109.285 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.6 t -82.72 -43.42 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.057 0.456 . . . . 0.92 110.536 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 20' ' ' VAL . 16.2 t -60.46 -50.07 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.563 -0.744 . . . . 0.94 111.403 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -76.91 -37.85 54.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.295 -0.866 . . . . 1.24 113.224 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 24.1 mt-30 -125.79 -104.77 0.34 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.921 -0.399 . . . . 4.46 109.921 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 151.44 -35.37 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 124.978 1.424 . . . . 2.66 109.804 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.58 160.6 29.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.741 -1.118 . . . . 2.08 110.927 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.632 ' O ' ' H71' ' C' ' 4' ' ' ' DT' . 9.2 m-70 68.3 19.59 8.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.768 -0.651 . . . . 1.63 110.653 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 t -131.79 126.31 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 115.592 -0.731 . . . . 1.05 109.613 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.4 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 56.5 m -59.73 136.73 58.09 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.346 -0.843 . . . . 1.29 109.745 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.465 ' HB1' ' OE2' ' A' ' 36' ' ' GLU . . . -54.31 -37.32 64.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.068 -0.515 . . . . 1.09 110.575 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -56.43 -43.8 79.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.659 -0.701 . . . . 3.08 111.136 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.517 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -86.12 -40.26 15.87 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.005 -0.543 . . . . 0.98 111.834 -178.412 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 17.4 ttm180 -55.07 -53.62 53.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.004 -0.544 . . . . 3.63 112.215 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.465 ' OE2' ' HB1' ' A' ' 32' ' ' ALA . 21.3 mt-10 -70.49 -17.86 62.97 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.471 -0.786 . . . . 1.72 110.459 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -84.45 -30.02 25.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.36 -0.607 . . . . 1.44 109.36 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.646 HG11 ' HA ' ' A' ' 20' ' ' VAL . 54.1 t -76.16 -43.47 37.67 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 109.461 -0.57 . . . . 0.68 109.461 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 44.7 mt-10 -60.55 -31.9 70.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.971 -1.013 . . . . 1.7 109.212 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.512 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -70.7 -36.14 73.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.717 -1.129 . . . . 0.78 110.331 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.86 -34.7 79.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.874 -0.603 . . . . 0.79 110.462 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.429 ' HE3' HG12 ' A' ' 38' ' ' VAL . 40.3 mtt -61.79 -26.3 68.01 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.742 -0.663 . . . . 0.87 111.727 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.67 -34.96 21.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.27 0.557 . . . . 0.93 110.136 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 22.6 mm-40 -65.33 -58.6 5.5 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.784 -1.098 . . . . 1.55 111.86 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.579 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -81.47 -10.63 59.45 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.495 -1.229 . . . . 1.79 112.032 -178.311 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.483 ' O ' HD12 ' A' ' 48' ' ' ILE . 22.8 m-80 67.76 64.93 0.38 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.515 0.674 . . . . 2.2 109.342 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.505 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 13.8 t80 -78.66 120.0 22.72 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.142 -0.936 . . . . 1.38 111.18 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 46' ' ' ASN . 2.5 mp -113.44 108.62 52.0 Favored Pre-proline 0 N--CA 1.44 -0.926 0 CA-C-N 115.227 -0.897 . . . . 1.39 108.675 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -55.9 116.29 3.06 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.553 2.168 . . . . 0.78 112.416 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -67.81 103.05 1.34 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 116.287 -0.415 . . . . 0.69 110.044 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.509 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 1.5 mpt_? -61.91 -31.08 71.35 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.237 -0.438 . . . . 4.2 111.558 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -35.46 71.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.635 -0.505 . . . . 0.7 109.635 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' HB3' " C5'" ' D' ' 13' ' ' ' DC' . . . -71.19 -42.2 69.33 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.063 -0.717 . . . . 0.53 109.063 178.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -59.54 -39.56 84.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.404 -1.271 . . . . 1.67 109.248 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.406 ' HB3' ' OE1' ' A' ' 60' ' ' GLN . 20.2 mt-30 -69.48 -36.1 76.21 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.296 0.569 . . . . 2.66 109.812 178.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.7 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 7.1 tp -64.48 -47.2 79.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.434 -0.803 . . . . 0.61 110.534 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.42 -18.07 55.49 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.711 -0.677 . . . . 0.85 111.698 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.11 -124.63 4.79 Favored Glycine 0 N--CA 1.432 -1.594 0 C-N-CA 120.828 -0.701 . . . . 1.86 111.691 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HE3' ' HB3' ' A' ' 59' ' ' LYS . 28.5 mtpp -106.89 148.31 28.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.801 0.667 . . . . 6.17 112.801 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' OE1' ' HB3' ' A' ' 55' ' ' GLN . 23.6 mm-40 -111.58 143.65 42.1 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.591 -0.732 . . . . 6.76 110.079 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m 60.63 79.45 0.24 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.996 0.81 . . . . 7.52 112.345 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.345 -0.836 . . . . 9.27 110.37 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ttp . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.319 -0.252 . . . . 6.54 110.319 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 19.1 tptt -120.22 94.8 48.91 Favored Pre-proline 0 N--CA 1.446 -0.627 0 N-CA-C 109.841 -0.429 . . . . 5.5 109.841 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.68 131.9 19.37 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.757 2.305 . . . . 1.75 110.473 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.622 HG21 ' O ' ' B' ' 45' ' ' LEU . 65.0 t -79.27 154.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.912 -0.403 . . . . 0.83 109.912 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.849 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 16.7 p -134.87 164.08 28.38 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.786 -0.643 . . . . 0.68 111.436 -177.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.48 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 1.3 tt -59.9 -22.78 62.82 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.2 0.524 . . . . 0.66 111.368 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.62 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 18.2 m-85 -72.47 -40.73 66.75 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.243 -0.889 . . . . 1.22 110.466 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -66.41 -36.43 82.81 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.703 -0.68 . . . . 1.45 109.638 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.563 ' HA ' HD23 ' B' ' 45' ' ' LEU . 53.6 t -65.23 -40.77 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 114.658 -1.156 . . . . 0.55 109.609 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.489 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -59.58 -53.4 58.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.546 -0.752 . . . . 0.63 110.889 178.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.72 -47.99 80.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.156 -0.929 . . . . 2.46 111.552 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.423 ' CB ' HD21 ' B' ' 45' ' ' LEU . 34.7 t80 -63.99 -49.76 71.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.09 -0.505 . . . . 1.39 111.851 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.78 -19.98 65.86 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.325 0.491 . . . . 0.69 112.325 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.72 50.44 5.62 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 110.668 -0.973 . . . . 1.09 110.668 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -145.26 168.95 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 N-CA-C 108.59 -0.893 . . . . 0.62 108.59 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.506 ' O ' ' HB ' ' B' ' 19' ' ' THR . 72.2 m -76.59 153.36 35.39 Favored 'General case' 0 N--CA 1.423 -1.79 0 N-CA-C 109.187 -0.672 . . . . 1.31 109.187 177.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.466 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -58.29 -43.11 87.9 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 121.281 -0.168 . . . . 1.58 110.686 -179.374 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.47 ' HG2' ' H71' ' C' ' 14' ' ' ' DT' . 2.0 tm0? -57.83 -34.45 69.7 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.231 0.538 . . . . 0.89 111.162 177.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' B' ' 16' ' ' SER . 97.4 m -57.31 -40.94 78.91 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.749 0.785 . . . . 0.64 110.722 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.501 HG13 ' CG1' ' B' ' 38' ' ' VAL . 3.7 t -65.01 -46.29 91.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 114.208 -1.36 . . . . 1.17 110.72 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.43 ' CB ' ' H73' ' C' ' 14' ' ' ' DT' . 3.7 m -58.0 -49.19 77.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.088 0.947 . . . . 1.13 108.459 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -57.02 -38.11 72.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.304 -1.316 . . . . 2.87 111.824 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.633 HG13 ' HG3' ' B' ' 35' ' ' ARG . 24.7 t -75.49 -40.17 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-O 120.777 0.322 . . . . 0.86 110.624 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.29 -36.28 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.037 -0.528 . . . . 1.03 110.56 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -86.09 -5.84 59.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.22 -0.445 . . . . 1.25 111.198 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 54.15 44.29 29.38 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.424 0.631 . . . . 3.75 109.934 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.88 179.62 6.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.31 -0.859 . . . . 2.36 110.952 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 0.8 OUTLIER -79.36 167.8 20.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.739 . . . . 1.96 110.834 178.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' B' ' 28' ' ' SER . 62.5 m170 67.95 33.72 4.52 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.658 0.742 . . . . 1.34 110.002 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.47 110.17 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.582 -0.735 . . . . 1.1 110.872 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.543 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 64.4 m -61.43 151.85 31.43 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.805 -0.634 . . . . 0.98 109.815 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.13 -51.34 58.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 111.918 0.34 . . . . 1.12 111.918 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.675 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 56.2 mtmt -53.4 -57.97 8.76 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 123.496 0.497 . . . . 3.25 111.115 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -52.97 -34.93 58.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.865 -0.607 . . . . 0.77 111.553 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.633 ' HG3' HG13 ' B' ' 23' ' ' VAL . 11.3 ttm180 -65.27 -42.95 92.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.219 0.533 . . . . 3.59 110.329 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.03 -41.56 86.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.887 -1.051 . . . . 1.96 111.247 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.675 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 25.3 mtpp -60.39 -39.45 87.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.677 -0.692 . . . . 1.91 111.044 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 34' ' ' THR . 94.4 t -69.46 -39.92 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 115.758 -0.656 . . . . 0.62 110.991 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -71.78 -32.26 67.47 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.289 0.566 . . . . 1.68 109.777 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.0 76.85 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.605 -0.725 . . . . 0.77 109.585 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.29 -28.86 60.12 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.585 -0.734 . . . . 0.65 112.024 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 42.4 mtt -63.66 -20.72 65.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.466 -0.788 . . . . 0.71 109.776 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.17 -49.43 7.75 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.817 -0.629 . . . . 0.9 110.656 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -59.63 -42.02 91.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.75 0.786 . . . . 1.58 111.066 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.622 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -78.19 -19.25 54.26 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.786 -1.097 . . . . 1.14 111.293 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.25 43.32 4.9 Favored 'General case' 0 C--N 1.34 0.183 0 N-CA-C 107.052 -1.462 . . . . 1.24 107.052 -175.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.612 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 t80 -56.94 123.38 14.93 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.759 -1.109 . . . . 1.46 111.632 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mt -135.55 98.98 11.95 Favored Pre-proline 0 N--CA 1.435 -1.193 0 N-CA-C 104.001 -2.592 . . . . 1.34 104.001 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.623 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.7 OUTLIER -30.0 128.86 0.06 OUTLIER 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 125.19 3.927 . . . . 0.72 115.409 -176.357 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.412 HD22 " C5'" ' C' ' 12' ' ' ' DG' . 35.6 t-20 -63.65 87.35 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.387 -1.279 . . . . 0.85 111.325 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.637 ' HG2' ' OE1' ' B' ' 60' ' ' GLN . 0.0 OUTLIER -47.38 -29.23 2.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.905 0.882 . . . . 4.55 112.739 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 66.9 m -75.42 -60.78 2.15 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 120.418 -0.513 . . . . 0.73 112.1 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.19 -34.57 63.79 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.774 -0.648 . . . . 0.64 112.135 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.623 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 11.0 mt-30 -66.5 -30.79 71.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.426 -0.352 . . . . 1.04 110.536 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.606 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 1.6 mm-40 -82.29 -20.41 37.54 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.083 -0.71 . . . . 2.45 109.083 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.575 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.7 tp -81.97 -46.47 13.96 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.301 -0.863 . . . . 0.65 109.943 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.16 -0.06 8.88 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.903 0.881 . . . . 1.07 112.772 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.19 -79.74 0.12 Allowed Glycine 0 CA--C 1.505 -0.539 0 C-N-CA 120.376 -0.916 . . . . 1.6 112.499 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' B' ' 60' ' ' GLN . 3.2 ttpm? -170.68 149.09 3.09 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.995 -0.372 . . . . 5.04 109.995 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.637 ' OE1' ' HG2' ' B' ' 51' ' ' ARG . 1.1 tm0? -161.51 122.76 2.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 123.602 0.564 . . . . 6.57 109.955 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.28 28.53 8.69 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.588 -0.445 . . . . 6.55 111.133 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.409 -0.805 . . . . 8.33 110.49 -179.899 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . 0.429 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.499 -1.561 0 C3'-C2'-C1' 99.299 -2.43 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.429 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.503 -1.288 0 C3'-C2'-C1' 99.264 -2.454 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.466 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-C2' 103.827 -2.067 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.56 ' H72' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 C2'--C1' 1.509 -0.891 0 O4'-C1'-C2' 103.832 -2.062 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.632 ' H71' ' O ' ' A' ' 29' ' ' HIS . . . . . . . . 0 C2'--C1' 1.507 -0.991 0 C3'-C2'-C1' 99.559 -2.244 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.479 ' C2 ' ' C2 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.065 0 O4'-C1'-C2' 103.996 -1.913 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.518 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.51 -0.815 0 C3'-C2'-C1' 99.683 -2.155 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . 0.417 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.511 -0.721 0 C3'-C2'-C1' 99.262 -2.456 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.417 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 99.156 -2.531 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.547 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.598 -0.738 0 C3'-C2'-C1' 98.808 -2.78 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.547 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.837 0 O4'-C1'-C2' 103.963 -1.943 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.7 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.493 -2.013 0 C3'-C2'-C1' 98.032 -3.335 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.849 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.497 -1.728 0 C3'-C2'-C1' 99.849 -2.037 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.48 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.991 0 C5'-C4'-C3' 118.602 2.601 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.47 ' H71' ' HG2' ' B' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.509 -0.85 0 C3'-C2'-C1' 100.043 -1.898 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.963 0 C5'-C4'-C3' 117.61 1.94 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.469 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.227 0 C3'-C2'-C1' 99.981 -1.942 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.469 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.99 0 C3'-C2'-C1' 99.669 -2.165 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.516 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.503 -1.284 0 C3'-C2'-C1' 99.783 -2.084 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.462 " H1'" " H5'" ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.805 0 C3'-C2'-C1' 99.83 -2.05 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.462 " H5'" " H1'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.819 0 C3'-C2'-C1' 99.669 -2.165 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 C3'-C2'-C1' 99.327 -2.409 . . . . 1.84 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.201 0 C3'-C2'-C1' 99.285 -2.439 . . . . 2.17 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.131 0 O5'-P-OP1 106.137 -0.677 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-C2' 102.119 -1.081 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.516 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C1'-C2' 107.443 1.221 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.516 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 P--O3' 1.614 0.546 0 C3'-C2'-C1' 104.29 1.135 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.541 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.526 0.751 0 C3'-C2'-C1' 105.264 1.832 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.651 " H2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C4'-C3'-C2' 104.312 1.112 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.651 ' H71' " H2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 107.461 1.238 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.49 " H5'" H2'' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 107.487 1.261 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.509 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 O4'-C1'-C2' 107.216 1.015 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.509 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.41 -0.763 0 O4'-C4'-C3' 106.663 1.063 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.422 ' C6 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 O4'-C1'-C2' 107.317 1.106 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.433 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.974 1.704 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.638 ' OP1' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.511 -0.713 0 C5'-C4'-C3' 115.48 0.52 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.513 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.422 -1.153 0 C3'-C2'-C1' 104.753 1.466 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.42 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C5'-C4'-O4' 107.528 -1.17 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.632 ' N4 ' ' HG2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 C3'-C2'-C1' 105.092 1.709 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.457 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.687 0 C5'-C4'-C3' 115.77 0.713 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.457 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.433 -0.434 0 C3'-C2'-C1' 104.035 0.954 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.479 ' C2 ' ' C2 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 P--O3' 1.616 0.781 0 O4'-C1'-N19 108.496 0.87 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.521 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 N19-C1'-C2' 112.849 -0.845 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.521 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 P--O3' 1.597 -0.861 0 C1'-O4'-C4' 110.918 0.87 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.518 " H5'" " H1'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 N19-C1'-C2' 115.838 1.024 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 C4'-C3'-C2' 101.96 -1.24 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mmm . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.819 -0.437 . . . . 6.94 109.819 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.51 148.41 93.9 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 110.034 -0.358 . . . . 5.85 110.034 179.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.21 129.6 13.25 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.874 2.383 . . . . 1.9 112.911 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.57 HG12 ' H ' ' A' ' 5' ' ' THR . 16.8 t -112.98 175.03 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 N-CA-C 107.728 -1.212 . . . . 0.99 107.728 178.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.57 ' H ' HG12 ' A' ' 4' ' ' VAL . 25.4 p -131.98 159.15 39.57 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.753 -0.832 . . . . 0.72 108.753 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -63.35 -19.66 64.83 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 121.712 -0.617 . . . . 0.66 110.364 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -72.29 -42.41 65.54 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.925 -0.58 . . . . 0.68 109.451 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -57.84 -32.37 67.55 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 122.727 1.251 . . . . 1.86 108.564 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 5' ' ' THR . 42.1 t -75.63 -44.1 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 CA-C-N 113.272 -1.786 . . . . 0.66 109.336 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.488 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -63.93 -45.41 89.34 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.572 -0.74 . . . . 0.65 111.946 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.17 -54.73 40.73 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.469 0.652 . . . . 2.41 110.815 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -62.13 -28.55 69.71 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.638 -0.71 . . . . 1.68 112.389 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.635 ' O ' ' HD3' ' A' ' 37' ' ' LYS . . . -83.13 -27.5 30.08 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 121.788 -0.57 . . . . 0.71 111.474 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.23 34.31 7.19 Favored Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 109.725 -1.35 . . . . 0.68 109.725 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.2 m -137.97 -179.41 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-O 121.357 0.599 . . . . 0.62 111.221 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -90.24 147.6 23.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.268 -0.878 . . . . 1.03 108.963 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.488 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 34.2 p90 -49.96 -42.64 49.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.327 0.584 . . . . 1.38 111.023 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.653 ' HB2' ' H71' ' C' ' 6' ' ' ' DT' . 0.0 OUTLIER -60.39 -29.49 68.99 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.267 0.556 . . . . 2.08 111.037 178.379 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 m -66.03 -45.39 81.61 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.828 0.823 . . . . 0.61 109.669 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 24' ' ' VAL . 89.0 t -57.24 -44.94 84.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 114.043 -1.435 . . . . 0.65 110.444 177.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 47.0 t -67.32 -27.67 67.35 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.781 -0.645 . . . . 1.22 110.919 -178.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -73.73 -28.51 61.74 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.31 -0.556 . . . . 2.65 110.097 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.3 t -83.37 -43.97 18.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 120.865 0.364 . . . . 0.92 110.078 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 20' ' ' VAL . 55.4 t -64.5 -48.26 85.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.335 0.588 . . . . 0.94 110.832 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 21' ' ' SER . 35.8 m-20 -75.24 -38.94 60.34 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.024 0.75 . . . . 1.24 113.024 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.529 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -149.95 -109.88 0.07 Allowed 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.86 -0.525 . . . . 4.46 109.665 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 166.53 -21.85 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.4 0.619 . . . . 2.66 111.379 -178.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 0.4 OUTLIER -65.53 150.5 48.29 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.848 -0.615 . . . . 2.08 110.695 -178.816 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 28' ' ' SER . 4.1 m-70 70.0 23.18 5.5 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.707 0.765 . . . . 1.63 109.359 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' A' ' 27' ' ' ALA . 48.5 t -141.22 132.85 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-N 114.681 -1.145 . . . . 1.05 108.103 178.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.65 155.32 40.69 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.014 -1.106 . . . . 1.29 108.014 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.8 -7.81 47.9 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 113.234 0.827 . . . . 1.09 113.234 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -84.95 -43.91 13.6 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.453 -0.943 . . . . 3.08 108.453 -175.843 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -70.53 -22.59 62.6 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.714 -1.13 . . . . 0.98 112.3 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -62.05 2.15 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.22 -0.3 . . . . 3.63 111.455 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.14 -26.72 64.98 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.018 0.748 . . . . 1.72 113.018 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.635 ' HD3' ' O ' ' A' ' 13' ' ' ALA . 8.4 ptpt -77.36 -26.92 52.41 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.103 -1.039 . . . . 1.44 109.538 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.564 HG11 ' HA ' ' A' ' 20' ' ' VAL . 55.0 t -79.07 -37.51 19.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 114.803 -1.089 . . . . 0.68 108.177 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -78.89 -2.3 39.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.251 -1.018 . . . . 1.7 108.251 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.658 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -91.31 -50.29 5.9 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 106.385 -1.709 . . . . 0.78 106.385 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.25 82.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 113.657 -1.61 . . . . 0.79 113.479 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 1.7 ptp -76.0 -19.8 58.38 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.14 -0.624 . . . . 0.87 110.272 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.3 -17.77 31.7 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.182 -0.917 . . . . 0.93 110.737 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.658 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 56.5 mm-40 -91.64 -55.64 3.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 123.526 1.632 . . . . 1.55 110.147 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.26 -1.3 40.18 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 111.74 -2.482 . . . . 1.79 112.437 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.1 m120 56.85 59.44 3.5 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.6 0.714 . . . . 2.2 110.056 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.8 t80 -76.88 122.89 25.48 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.997 -1.001 . . . . 1.38 109.248 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.85 109.53 61.11 Favored Pre-proline 0 N--CA 1.444 -0.74 0 N-CA-C 108.592 -0.892 . . . . 1.39 108.592 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -46.95 123.27 7.15 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.044 2.496 . . . . 0.78 110.962 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.611 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 6.1 m-20 -74.23 113.9 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.506 0.669 . . . . 0.69 110.222 -178.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -79.14 -20.25 49.04 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.168 -0.924 . . . . 4.2 111.175 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.14 -56.18 4.68 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 110.4 -0.222 . . . . 0.7 110.4 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.746 ' HB3' " H5'" ' D' ' 13' ' ' ' DC' . . . -58.81 -46.13 88.35 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.6 -0.519 . . . . 0.53 109.6 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.611 ' HB3' ' O ' ' A' ' 50' ' ' ASN . 0.9 OUTLIER -47.96 -39.36 19.14 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.753 -1.112 . . . . 1.67 111.049 177.035 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.435 ' HB3' ' NE2' ' A' ' 60' ' ' GLN . 14.0 mm100 -82.32 -18.62 41.6 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.349 -0.387 . . . . 2.66 110.854 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.641 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 10.8 tp -76.17 -52.61 9.72 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 108.878 -0.786 . . . . 0.61 108.878 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.36 -56.04 24.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.842 -1.072 . . . . 0.85 111.203 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.79 134.53 43.97 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 118.949 -1.596 . . . . 1.86 111.065 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -70.6 90.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 117.082 0.441 . . . . 6.17 111.175 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.435 ' NE2' ' HB3' ' A' ' 55' ' ' GLN . 10.4 pt20 -88.07 -23.52 23.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.935 -0.575 . . . . 6.76 110.538 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 m 68.15 154.32 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.345 -0.843 . . . . 7.52 111.794 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.544 -0.741 . . . . 9.27 109.775 -178.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.1 tpp . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.784 0.325 . . . . 6.54 111.126 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -90.26 114.11 59.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.719 -0.673 . . . . 5.5 109.781 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.411 ' HA ' ' HB ' ' B' ' 48' ' ' ILE . 63.4 Cg_endo -75.82 127.55 10.21 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.255 1.303 . . . . 1.75 111.694 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.671 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 74.1 t -67.24 137.26 25.12 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 121.597 0.713 . . . . 0.83 109.738 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.851 HG22 ' HB2' ' B' ' 50' ' ' ASN . 66.7 p -124.56 160.22 28.88 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.748 -0.66 . . . . 0.68 110.562 -177.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.466 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.5 OUTLIER -50.61 -15.72 0.3 Allowed 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 113.626 0.973 . . . . 0.66 113.626 177.027 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.495 ' CE2' " H2'" ' C' ' 12' ' ' ' DG' . 40.8 m-85 -85.81 -20.36 29.3 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 120.497 -0.481 . . . . 1.22 109.797 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -39.9 15.47 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.529 -1.286 . . . . 1.45 107.529 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.539 ' HA ' HD23 ' B' ' 45' ' ' LEU . 8.6 t -61.62 -48.72 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.005 -0.998 . . . . 0.55 111.0 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.654 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.41 -64.35 0.89 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 122.059 0.933 . . . . 0.63 110.416 178.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -49.11 -34.08 13.24 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 113.432 -1.713 . . . . 2.46 112.906 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.453 ' CB ' HD21 ' B' ' 45' ' ' LEU . 27.1 t80 -78.09 -44.17 26.97 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 116.152 -0.476 . . . . 1.39 112.029 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -81.86 -22.17 37.11 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 112.648 0.61 . . . . 0.69 112.648 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.59 23.36 31.23 Favored Glycine 0 C--N 1.32 -0.312 0 C-N-CA 119.488 -1.339 . . . . 1.09 112.493 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.723 HG21 HG22 ' B' ' 38' ' ' VAL . 6.3 m -110.54 158.63 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 N-CA-C 109.015 -0.735 . . . . 0.62 109.015 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.609 ' O ' HG23 ' B' ' 20' ' ' VAL . 5.4 m -70.1 168.02 16.47 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 119.809 -0.756 . . . . 1.31 112.067 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.468 ' OH ' ' N7 ' ' C' ' 13' ' ' ' DA' . 2.2 t80 -63.55 -45.18 91.68 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.081 -1.418 . . . . 1.58 110.249 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -69.4 -34.12 74.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.277 -0.268 . . . . 0.89 110.277 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.466 ' OG1' ' HB2' ' B' ' 16' ' ' SER . 6.3 m -57.01 -28.18 62.25 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.696 0.623 . . . . 0.64 111.996 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.654 HG21 ' HB2' ' B' ' 10' ' ' ALA . 7.4 t -82.57 -40.13 16.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.832 -0.622 . . . . 1.17 109.495 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.527 ' CB ' ' H73' ' C' ' 14' ' ' ' DT' . 17.9 m -66.86 -31.73 72.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.682 -0.69 . . . . 1.13 111.29 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -78.6 -18.63 54.27 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.394 -0.816 . . . . 2.87 111.438 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.419 HG21 HG21 ' B' ' 38' ' ' VAL . 3.1 t -75.09 -37.58 40.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.274 -1.01 . . . . 0.86 108.274 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.8 -39.27 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 114.411 -1.268 . . . . 1.03 110.107 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.412 HD21 ' P ' ' C' ' 14' ' ' ' DT' . 5.9 m-80 -73.02 -9.33 58.61 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.998 -0.546 . . . . 1.25 112.081 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 60.07 31.35 20.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 123.462 0.705 . . . . 3.75 111.311 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.47 175.55 10.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.229 1.014 . . . . 2.36 111.796 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.61 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 53.8 m -100.7 178.92 4.57 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 113.436 -1.711 . . . . 1.96 107.925 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.61 ' HB2' ' O ' ' B' ' 28' ' ' SER . 23.9 m170 89.37 -1.97 0.36 Allowed 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 123.332 0.653 . . . . 1.34 110.164 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.79 103.35 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 N-CA-C 108.161 -1.051 . . . . 1.1 108.161 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.19 166.03 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 115.254 1.576 . . . . 0.98 115.254 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -67.22 -37.43 83.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.324 -1.307 . . . . 1.12 111.461 -177.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 28.4 ttpt -55.09 -60.45 3.36 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.532 0.682 . . . . 3.25 110.304 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.417 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.1 OUTLIER -56.91 -23.25 43.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.138 -0.937 . . . . 0.77 112.089 178.837 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.09 -40.31 53.34 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.522 0.677 . . . . 3.59 109.529 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 20.7 mt-10 -69.13 -32.3 71.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.752 -1.113 . . . . 1.96 109.775 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' B' ' 33' ' ' LYS . 11.3 mmpt? -62.92 -37.53 87.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.598 -1.183 . . . . 1.91 109.572 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.723 HG22 HG21 ' B' ' 15' ' ' VAL . 93.7 t -75.36 -39.16 41.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.948 -0.569 . . . . 0.62 110.309 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' B' ' 42' ' ' MET . 41.6 mt-10 -62.83 -34.59 77.64 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.63 0.729 . . . . 1.68 110.037 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.6 81.18 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.872 -1.058 . . . . 0.77 109.698 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -59.83 -32.26 70.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.819 -1.082 . . . . 0.65 109.983 178.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 48.0 mtt -62.59 -21.94 66.0 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.09 -0.959 . . . . 0.71 108.991 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.31 -47.45 8.03 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.9 110.357 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -54.84 -55.03 34.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.259 1.028 . . . . 1.58 110.054 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.654 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.3 OUTLIER -76.26 -18.29 59.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.501 -1.227 . . . . 1.14 110.43 178.77 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 53.81 71.04 0.54 Allowed 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 106.253 -1.758 . . . . 1.24 106.253 -176.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.433 ' HD1' ' N ' ' B' ' 48' ' ' ILE . 0.1 OUTLIER -35.98 128.72 0.68 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 112.834 -1.984 . . . . 1.46 115.192 -176.06 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.671 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 mm -131.54 74.86 77.73 Favored Pre-proline 0 C--N 1.307 -1.25 0 CA-C-N 110.865 -2.879 . . . . 1.34 109.444 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' B' ' 51' ' ' ARG . 72.4 Cg_exo -37.54 125.15 0.6 Allowed 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 123.913 3.076 . . . . 0.72 111.995 -177.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.851 ' HB2' HG22 ' B' ' 5' ' ' THR . 34.8 t-20 -66.8 76.49 0.12 Allowed 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.404 -0.591 . . . . 0.85 109.404 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' B' ' 49' ' ' PRO . 13.4 mtt85 -43.7 -28.07 0.38 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.915 1.45 . . . . 4.55 114.915 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' B' ' 56' ' ' LEU . 71.1 m -71.26 -56.39 6.14 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.909 -0.404 . . . . 0.73 109.909 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.96 -34.44 59.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.24 0.543 . . . . 0.64 111.258 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -60.32 -35.6 75.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.036 -0.984 . . . . 1.04 112.276 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -92.49 -21.81 19.94 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.474 -0.935 . . . . 2.45 108.474 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -70.34 -43.58 69.95 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.436 -0.802 . . . . 0.65 110.479 178.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.471 ' HB2' ' H21' ' C' ' 12' ' ' ' DG' . . . -66.67 -68.93 0.34 Allowed 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 106.847 -1.538 . . . . 1.07 106.847 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.78 31.82 0.02 OUTLIER Glycine 0 C--O 1.239 0.406 0 C-N-CA 118.824 -1.655 . . . . 1.6 111.48 173.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp 58.7 -163.3 0.22 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.137 -0.531 . . . . 5.04 110.761 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -77.63 139.57 39.5 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.347 -0.388 . . . . 6.57 111.283 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 15.8 m -82.98 98.46 9.26 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.236 0.541 . . . . 6.55 110.486 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 20.8 tp . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.913 -1.042 . . . . 8.33 109.583 179.858 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.5 -1.494 0 C3'-C2'-C1' 99.222 -2.484 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 C3'-C2'-C1' 99.607 -2.209 . . . . 2.25 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 103.758 -2.129 . . . . 1.55 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.448 ' C6 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.809 0 O4'-C1'-C2' 103.923 -1.979 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.462 ' C2 ' ' C5 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.854 0 C3'-C2'-C1' 99.372 -2.377 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.462 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.1 0 O4'-C1'-C2' 104.002 -1.907 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.653 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.507 -0.969 0 C3'-C2'-C1' 99.116 -2.56 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.264 0 C3'-C2'-C1' 99.226 -2.482 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.456 0.931 0 C3'-C2'-C1' 99.502 -2.285 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.436 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.597 -0.805 0 C3'-C2'-C1' 98.674 -2.876 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.436 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-C2' 103.73 -2.154 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.641 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.499 -1.598 0 C3'-C2'-C1' 99.696 -2.146 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.511 H2'' ' C8 ' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.496 -1.791 0 O4'-C1'-C2' 104.146 -1.777 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.511 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.098 0 C3'-C2'-C1' 99.688 -2.151 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.527 ' H73' ' CB ' ' B' ' 21' ' ' SER . . . . . . . . 0 P--O3' 1.591 -1.369 0 C3'-C2'-C1' 99.847 -2.038 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.256 0 C3'-C2'-C1' 99.837 -2.045 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.494 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.069 0 O4'-C1'-C2' 104.072 -1.843 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.494 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.766 0 O4'-C1'-C2' 104.115 -1.804 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.096 0 C3'-C2'-C1' 100.028 -1.908 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 O4'-C1'-C2' 103.902 -1.999 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.417 ' C6 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C3'-C2'-C1' 100.026 -1.91 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.464 ' C6 ' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.992 0 C3'-C2'-C1' 99.606 -2.21 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.464 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.957 0 C3'-C2'-C1' 98.936 -2.688 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . 0.402 H2'' ' OP2' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 C3'-C2'-C1' 101.002 -1.213 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.477 " H1'" " H5'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.53 0 C4'-C3'-C2' 101.898 -1.302 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.477 " H5'" " H1'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.521 -0.653 0 O4'-C1'-C2' 107.117 0.925 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.426 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C3'-C2'-C1' 103.927 0.876 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.415 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.529 1.077 0 C1'-O4'-C4' 107.728 -1.409 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.686 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.037 0 C5'-C4'-C3' 116.945 1.496 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.686 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.033 0 C5'-C4'-C3' 117.116 1.61 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.489 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.917 0 C3'-C2'-C1' 104.17 1.05 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.433 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 P--O3' 1.616 0.751 0 O4'-C1'-C2' 107.446 1.224 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.496 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.533 0.478 0 C5'-C4'-O4' 108.201 -0.75 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.496 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 N19-C1'-C2' 115.976 1.11 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 107.885 1.623 . . . . 1.5 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.489 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 P--O3' 1.615 0.681 0 C3'-C2'-C1' 101.039 -1.187 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.746 " H5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C3'-C2'-C1' 104.82 1.514 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.557 0 C5'-C4'-C3' 117.017 1.545 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.521 " H1'" " H5'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.864 0 O4'-C1'-C2' 107.584 1.349 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.521 " H5'" " H1'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C4'-C3'-C2' 102.236 -0.964 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.515 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C5'-C4'-C3' 116.527 1.218 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.511 ' C4 ' ' N7 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 1.014 0 O4'-C1'-C2' 107.027 0.842 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.511 ' N7 ' ' C4 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.515 -0.431 0 O4'-C1'-N19 108.372 0.715 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C5'-C4'-O4' 107.931 -0.918 . . . . 1.43 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.478 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C4'-C3'-C2' 104.776 1.576 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . 0.478 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.423 -0.635 0 N19-C1'-C2' 115.356 0.723 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 mmt . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.796 -0.446 . . . . 6.94 109.796 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -80.99 112.47 32.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.429 -0.582 . . . . 5.85 109.429 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.54 127.72 12.0 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.645 2.23 . . . . 1.9 112.314 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.57 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 83.7 t -125.94 129.62 72.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.008 -1.108 . . . . 0.99 108.008 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.1 p -91.21 169.95 10.41 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 113.316 0.858 . . . . 0.72 113.316 -178.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -65.1 -18.38 65.25 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.041 -1.436 . . . . 0.66 109.363 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -78.24 -40.62 36.73 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.677 -0.692 . . . . 0.68 110.859 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.7 -41.2 97.28 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.699 1.238 . . . . 1.86 107.88 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 5' ' ' THR . 23.1 t -62.49 -44.26 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 112.649 -2.069 . . . . 0.66 110.799 178.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -34.04 76.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.185 -0.916 . . . . 0.65 111.223 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -70.08 -49.65 48.91 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.284 -0.416 . . . . 2.41 110.646 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -67.79 -25.23 65.49 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.253 0.549 . . . . 1.68 111.803 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB1' HG22 ' A' ' 38' ' ' VAL . . . -90.4 -17.78 26.63 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.668 -0.696 . . . . 0.71 109.974 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.65 44.31 40.18 Favored Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 110.519 -1.033 . . . . 0.68 110.519 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 13' ' ' ALA . 34.6 m -136.76 -166.87 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.804 -0.698 . . . . 0.62 110.268 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.6 p -99.71 170.78 8.33 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.623 -1.251 . . . . 1.03 107.623 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.413 ' HB2' ' CD1' ' A' ' 6' ' ' LEU . 35.5 p90 -73.42 -32.68 64.55 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 118.211 -1.396 . . . . 1.38 108.615 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -62.4 -33.36 74.61 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.667 -0.697 . . . . 2.08 110.189 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -62.47 -46.01 90.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.644 -0.873 . . . . 0.61 108.644 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 24' ' ' VAL . 55.9 t -59.55 -52.71 57.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.705 -1.134 . . . . 0.65 110.028 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.7 t -62.33 -25.68 68.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 1.22 111.635 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.42 ' HG2' HG22 ' A' ' 30' ' ' VAL . 23.2 tpp180 -73.05 -30.33 63.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.626 -0.509 . . . . 2.65 109.626 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.461 HG13 ' HG3' ' A' ' 35' ' ' ARG . 92.6 t -84.06 -44.26 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-O 121.465 0.65 . . . . 0.92 111.284 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 20' ' ' VAL . 24.9 t -62.67 -49.41 83.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.241 -0.89 . . . . 0.94 112.535 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -87.41 -18.5 29.83 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 113.46 0.911 . . . . 1.24 113.46 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 20.3 mt-30 -135.85 -106.36 0.21 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 119.158 -0.449 . . . . 4.46 110.855 -178.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 151.83 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.691 1.197 . . . . 2.66 109.842 -178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 46.6 t -77.91 160.91 27.95 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.452 -0.794 . . . . 2.08 110.599 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.592 ' O ' ' H71' ' C' ' 4' ' ' ' DT' . 56.7 m170 72.21 21.9 3.75 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 123.895 0.747 . . . . 1.63 111.372 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.42 HG22 ' HG2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -139.26 137.14 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 109.053 -0.721 . . . . 1.05 109.053 178.551 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.616 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 63.8 m -64.13 132.88 51.76 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.995 -1.002 . . . . 1.29 109.742 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.94 -34.79 65.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.477 0.656 . . . . 1.09 109.979 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -59.38 -40.76 87.57 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.092 -0.958 . . . . 3.08 110.685 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.616 ' OG1' ' HB2' ' A' ' 31' ' ' SER . 0.0 OUTLIER -88.8 -41.54 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.583 0.586 . . . . 0.98 112.583 -179.41 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.531 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 45.7 ttp180 -50.11 -49.99 49.93 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.128 0.489 . . . . 3.63 111.58 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 39.0 mt-10 -71.51 -16.99 62.36 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.135 -0.939 . . . . 1.72 111.349 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -89.51 -28.75 19.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 1.44 110.279 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.531 HG22 ' HB1' ' A' ' 13' ' ' ALA . 89.7 t -78.42 -44.54 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 108.746 -0.835 . . . . 0.68 108.746 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 38.3 mt-10 -59.27 -29.9 67.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.867 -1.06 . . . . 1.7 108.498 178.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -73.14 -33.14 65.33 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.689 -1.141 . . . . 0.78 110.46 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.46 96.14 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.544 0.688 . . . . 0.79 109.504 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.425 ' HE3' HG12 ' A' ' 38' ' ' VAL . 44.7 mtt -58.03 -27.92 64.0 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 114.962 -1.017 . . . . 0.87 112.248 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.4 -26.4 26.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.296 0.569 . . . . 0.93 110.79 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 21.4 mm-40 -72.75 -56.71 4.86 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.086 -0.961 . . . . 1.55 110.801 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.543 ' O ' HG21 ' A' ' 4' ' ' VAL . 1.3 mt -80.8 -18.69 46.73 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 113.48 -1.691 . . . . 1.79 111.447 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.72 66.41 0.15 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.58 0.705 . . . . 2.2 110.132 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.57 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.1 t80 -81.04 118.4 22.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.254 -0.884 . . . . 1.38 111.19 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.7 110.36 64.11 Favored Pre-proline 0 N--CA 1.438 -1.075 0 N-CA-C 108.831 -0.803 . . . . 1.39 108.831 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -55.26 107.16 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.71 2.274 . . . . 0.78 110.663 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.405 ' HB2' H5'' ' D' ' 13' ' ' ' DC' . 32.8 m-80 -67.71 100.4 0.91 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.373 0.606 . . . . 0.69 111.534 -177.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -69.27 -19.64 63.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.435 -0.802 . . . . 4.2 110.818 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 1.3 m -74.09 -35.96 64.23 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.418 -0.956 . . . . 0.7 108.418 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB3' " C5'" ' D' ' 13' ' ' ' DC' . . . -72.45 -39.27 67.91 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.119 -0.946 . . . . 0.53 110.095 178.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.417 ' HG3' H5'' ' D' ' 14' ' ' ' DT' . 32.1 tt0 -64.62 -42.25 95.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.782 -0.644 . . . . 1.67 110.057 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 52' ' ' CYS . 2.9 pt20 -62.56 -30.13 71.09 Favored 'General case' 0 CA--C 1.522 -0.134 0 N-CA-C 108.971 -0.751 . . . . 2.66 108.971 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.763 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 7.0 tp -71.25 -46.74 60.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.207 -0.906 . . . . 0.61 110.83 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.32 -13.71 60.13 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.016 -0.538 . . . . 0.85 112.307 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.528 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . 145.93 97.46 0.21 Allowed Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 110.75 -0.94 . . . . 1.86 110.75 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -67.02 92.03 0.23 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.7 0.762 . . . . 6.17 111.143 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 38.5 mt-30 -102.3 3.55 38.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.53 -1.214 . . . . 6.76 109.965 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m 57.56 78.81 0.22 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 114.814 -1.084 . . . . 7.52 112.063 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HB3' HE22 ' A' ' 54' ' ' GLN . 5.4 tp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.641 -0.695 . . . . 9.27 110.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtm . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.937 0.399 . . . . 6.54 110.782 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 0.0 OUTLIER -127.26 116.5 21.62 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-O 121.235 0.54 . . . . 5.5 110.084 -179.536 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 11.0 Cg_exo -66.44 121.15 8.37 Favored 'Trans proline' 0 C--N 1.331 -0.346 0 C-N-CA 122.792 2.328 . . . . 1.75 111.801 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.696 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 90.4 t -119.94 139.53 46.95 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.912 0 CA-C-N 116.136 -0.484 . . . . 0.83 109.939 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.77 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 17.7 p -93.4 165.26 12.86 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 113.083 0.772 . . . . 0.68 113.083 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.598 ' HG ' HG11 ' B' ' 20' ' ' VAL . 2.4 tt -61.83 -22.03 65.14 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.153 -0.931 . . . . 0.66 109.971 176.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.491 ' HE2' " H2'" ' C' ' 12' ' ' ' DG' . 37.5 m-85 -66.89 -41.18 87.61 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 115.841 -0.618 . . . . 1.22 110.214 178.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.428 ' HB2' ' CG1' ' B' ' 4' ' ' VAL . 20.2 m-20 -70.07 -31.24 68.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.237 -0.892 . . . . 1.45 110.103 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.608 ' HA ' HD23 ' B' ' 45' ' ' LEU . 51.5 t -67.1 -45.85 85.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.844 -0.616 . . . . 0.55 110.558 178.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.725 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -58.27 -54.7 44.01 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.062 -0.517 . . . . 0.63 111.817 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -61.84 -39.95 93.63 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.344 -0.844 . . . . 2.46 112.448 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.582 ' CB ' HD21 ' B' ' 45' ' ' LEU . 63.2 t80 -62.7 -38.48 90.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.481 0.658 . . . . 1.39 110.108 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.566 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -84.29 -21.59 30.99 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.326 -0.852 . . . . 0.69 111.126 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.74 -47.75 1.02 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.754 -0.938 . . . . 1.09 110.754 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -45.52 160.92 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 115.546 1.684 . . . . 0.62 115.546 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -78.09 167.81 20.85 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 113.718 -1.583 . . . . 1.31 110.243 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.696 ' CE2' ' H73' ' C' ' 14' ' ' ' DT' . 26.3 t80 -57.61 -56.55 20.43 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.093 -0.958 . . . . 1.58 111.422 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.402 ' CD ' ' H62' ' C' ' 15' ' ' ' DA' . 4.5 mm-40 -58.19 -25.22 61.32 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 112.861 0.689 . . . . 0.89 112.861 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -66.13 -39.33 89.8 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.892 0.853 . . . . 0.64 109.613 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.725 HG21 ' HB2' ' B' ' 10' ' ' ALA . 10.9 t -67.47 -51.49 51.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.64 -1.164 . . . . 1.17 109.81 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -53.59 -49.77 67.05 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.418 -0.956 . . . . 1.13 108.418 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -48.81 -39.88 27.07 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 114.107 -1.406 . . . . 2.87 112.572 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.449 HG13 ' HG3' ' B' ' 35' ' ' ARG . 25.5 t -72.19 -41.15 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.21 0.529 . . . . 0.86 110.895 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.499 HG11 ' NZ ' ' B' ' 59' ' ' LYS . 45.8 t -66.14 -39.87 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 CA-C-N 115.423 -0.808 . . . . 1.03 111.557 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -81.26 -9.58 59.74 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.212 -0.449 . . . . 1.25 111.006 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 59.33 41.42 19.79 Favored 'General case' 0 N--CA 1.462 0.172 0 O-C-N 123.944 0.777 . . . . 3.75 109.893 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.18 171.63 13.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.031 -0.986 . . . . 2.36 111.355 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 9.3 p -84.86 170.93 12.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.973 -0.558 . . . . 1.96 110.438 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' B' ' 28' ' ' SER . 53.2 m170 72.0 40.43 0.73 Allowed 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.416 0.448 . . . . 1.34 111.951 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 13.5 t -132.4 124.54 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 N-CA-C 110.007 -0.368 . . . . 1.1 110.007 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.717 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 14.7 m -68.08 146.71 53.23 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 109.987 -0.375 . . . . 0.98 109.987 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.06 -51.86 65.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.417 0.525 . . . . 1.12 112.417 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -58.58 -48.31 81.37 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.065 0.394 . . . . 3.25 112.065 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.717 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -57.34 -36.47 71.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.053 -0.521 . . . . 0.77 111.19 179.632 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.449 ' HG3' HG13 ' B' ' 23' ' ' VAL . 49.7 ttt180 -68.8 -49.03 61.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.999 -0.546 . . . . 3.59 110.05 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.1 -36.02 74.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.081 -0.963 . . . . 1.96 111.159 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.566 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 19.6 ttmm -63.66 -38.45 91.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 1.91 111.268 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.621 ' O ' ' HG3' ' B' ' 42' ' ' MET . 96.2 t -73.42 -41.22 56.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.02 -0.536 . . . . 0.62 111.179 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -68.77 -28.25 66.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.847 0.356 . . . . 1.68 110.321 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.66 -44.69 23.18 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.248 -0.433 . . . . 0.77 110.42 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.444 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -53.9 -27.88 33.18 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.71 -0.677 . . . . 0.65 110.785 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.621 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 49.7 mtt -61.45 -21.88 64.55 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.212 -0.904 . . . . 0.71 110.9 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.18 -48.09 7.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.374 . . . . 0.9 111.702 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.59 -46.22 84.29 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 121.697 0.76 . . . . 1.58 110.729 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.618 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -75.4 -17.2 60.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.857 -1.065 . . . . 1.14 111.579 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 63.08 43.34 6.58 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.014 -1.476 . . . . 1.24 107.014 -175.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.696 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.6 t80 -56.27 122.09 11.0 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 114.185 -1.37 . . . . 1.46 111.209 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -133.86 101.92 12.57 Favored Pre-proline 0 N--CA 1.431 -1.401 0 N-CA-C 103.893 -2.632 . . . . 1.34 103.893 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.586 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 4.8 Cg_exo -34.48 126.6 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 124.706 3.604 . . . . 0.72 115.355 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.565 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 0.2 OUTLIER -65.89 80.75 0.07 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.443 -0.799 . . . . 0.85 110.254 179.691 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 tpp85 -49.69 -30.3 8.97 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.017 1.118 . . . . 4.55 114.017 -177.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 85.4 m -68.22 -60.31 2.56 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.571 -0.452 . . . . 0.73 110.448 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.64 -36.28 75.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.959 0.409 . . . . 0.64 111.768 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.586 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 43.8 mt-30 -63.9 -32.92 74.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.182 -0.463 . . . . 1.04 111.488 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.12 -50.04 57.31 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.232 -1.025 . . . . 2.45 108.232 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.598 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.1 mp -52.55 -42.8 64.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.152 -0.931 . . . . 0.65 110.729 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.414 ' CB ' ' H21' ' C' ' 12' ' ' ' DG' . . . -79.38 -7.99 58.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.972 -0.558 . . . . 1.07 111.991 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLY . . . . . 0.414 ' HA2' ' HB2' ' B' ' 62' ' ' LEU . . . 83.21 -53.02 4.82 Favored Glycine 0 C--O 1.24 0.483 0 C-N-CA 121.072 -0.585 . . . . 1.6 113.522 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.499 ' NZ ' HG11 ' B' ' 24' ' ' VAL . 30.1 tttm 50.13 -121.33 1.66 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 122.786 0.434 . . . . 5.04 111.208 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -124.46 12.65 8.74 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.627 -0.509 . . . . 6.57 109.627 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.45 -19.09 15.06 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.815 -0.629 . . . . 6.55 110.965 -178.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' B' ' 62' ' ' LEU . 1.1 mm? . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.398 -0.811 . . . . 8.33 111.307 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.498 -1.669 0 C3'-C2'-C1' 99.291 -2.435 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.482 H2'' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.04 0 C3'-C2'-C1' 99.296 -2.431 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.482 ' C8 ' H2'' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 103.631 -2.245 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.477 " H5'" " H1'" ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 103.96 -1.945 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.592 ' H71' ' O ' ' A' ' 29' ' ' HIS . . . . . . . . 0 C2'--C1' 1.508 -0.96 0 C3'-C2'-C1' 99.606 -2.21 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.539 ' C2 ' ' C2 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.152 0 O4'-C1'-C2' 104.21 -1.718 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.799 0 C3'-C2'-C1' 99.504 -2.283 . . . . 1.06 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.04 0 C3'-C2'-C1' 99.535 -2.261 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.869 0 C3'-C2'-C1' 99.918 -1.987 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 C3'-C2'-C1' 98.993 -2.648 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 103.94 -1.963 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.763 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.498 -1.625 0 C3'-C2'-C1' 98.913 -2.705 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.77 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.584 -1.901 0 O4'-C1'-C2' 103.892 -2.007 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.474 H2'' ' H71' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C3'-C2'-C1' 99.601 -2.214 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.696 ' H73' ' CE2' ' B' ' 17' ' ' TYR . . . . . . . . 0 C2'--C1' 1.514 -0.507 0 C5'-C4'-C3' 118.522 2.548 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . 0.402 ' H62' ' CD ' ' B' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.506 -1.07 0 C3'-C2'-C1' 100.254 -1.747 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.426 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.951 0 O4'-C1'-C2' 104.0 -1.909 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.426 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.023 0 C5'-C4'-C3' 117.539 1.893 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.76 0 C3'-C2'-C1' 100.029 -1.908 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.987 0 C3'-C2'-C1' 99.89 -2.007 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C3'-C2'-C1' 99.759 -2.101 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.406 H2'' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.941 0 C3'-C2'-C1' 99.497 -2.288 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.406 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.99 0 C3'-C2'-C1' 99.074 -2.59 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.205 0 C3'-C2'-C1' 100.302 -1.713 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C5'-C4'-C3' 116.572 1.248 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.434 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 107.192 0.993 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.434 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C3'-C2'-C1' 104.675 1.411 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.497 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.526 0.77 0 C3'-C2'-C1' 105.376 1.911 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.655 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C5'-C4'-C3' 116.184 0.99 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.655 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-C2' 107.327 1.116 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.477 ' H71' " C2'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 P--O3' 1.617 0.836 0 C3'-C2'-C1' 105.002 1.644 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.418 " O4'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 104.308 1.108 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.432 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C5'-C4'-O4' 107.974 -0.891 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.432 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.956 0 O4'-C1'-C2' 107.222 1.02 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O4'-C1'-C2' 107.957 1.688 . . . . 1.5 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.598 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.511 -0.688 0 N19-C1'-C2' 115.805 1.003 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.643 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.063 0 C3'-C2'-C1' 104.573 1.338 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.442 " H1'" " H5'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C5'-C4'-O4' 107.849 -0.97 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.442 " H5'" " H1'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-C2' 107.509 1.281 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.577 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 102.194 -1.006 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.577 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.956 0 C5'-C4'-C3' 115.847 0.765 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.539 ' C2 ' ' C2 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C5'-C4'-C3' 116.054 0.902 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.47 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C5'-C4'-C3' 115.597 0.598 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.719 " H2'" ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C5'-C4'-O4' 107.736 -1.04 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.719 ' H72' " H2'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 106.898 0.725 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . 0.456 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 107.06 0.872 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.1 mtp . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 110.182 -0.303 . . . . 6.94 110.182 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.98 117.04 50.95 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 110.26 -0.274 . . . . 5.85 110.26 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -70.45 96.08 0.64 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 121.765 1.643 . . . . 1.9 109.731 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.616 HG13 ' HB2' ' A' ' 8' ' ' ASP . 55.6 t -52.88 137.08 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.931 0 CA-C-N 114.685 -1.143 . . . . 0.99 110.519 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.8 p -98.63 170.51 8.75 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.782 -1.099 . . . . 0.72 113.282 -178.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.1 pt? -65.65 -16.93 64.21 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.971 -1.013 . . . . 0.66 110.193 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.447 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 72.7 m-85 -78.93 -38.87 36.18 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 109.799 -0.445 . . . . 0.68 109.799 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.616 ' HB2' HG13 ' A' ' 4' ' ' VAL . 73.5 m-20 -60.78 -41.67 96.01 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 122.528 1.156 . . . . 1.86 107.947 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 5' ' ' THR . 21.4 t -63.02 -47.8 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 CA-C-N 112.304 -2.226 . . . . 0.66 110.085 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.13 89.96 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.34 -0.845 . . . . 0.65 111.621 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 45.9 mt-10 -68.17 -43.9 77.16 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.996 -0.547 . . . . 2.41 111.231 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.406 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 69.3 t80 -75.71 -25.86 57.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.847 0.356 . . . . 1.68 111.303 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.612 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.27 -17.6 39.18 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 108.719 -0.845 . . . . 0.71 108.719 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.46 37.14 58.7 Favored Glycine 0 C--N 1.339 0.741 0 C-N-CA 120.401 -0.904 . . . . 0.68 111.191 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.612 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.3 m -130.07 -169.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.258 -0.971 . . . . 0.62 111.002 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 m -97.95 164.23 12.45 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 107.305 -1.368 . . . . 1.03 107.305 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.451 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 53.5 p90 -68.89 -28.92 67.12 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.84 -1.17 . . . . 1.38 107.84 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.541 ' NE2' ' C4 ' ' D' ' 15' ' ' ' DC' . 39.8 tp60 -60.88 -37.53 82.48 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.351 -1.295 . . . . 2.08 110.216 175.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.589 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 85.8 m -65.66 -46.14 80.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.172 0.51 . . . . 0.61 109.787 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 24' ' ' VAL . 76.5 t -56.1 -50.7 68.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 114.717 -1.129 . . . . 0.65 111.055 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.0 t -66.93 -30.11 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.095 -0.335 . . . . 1.22 110.095 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.589 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 6.2 mtm180 -64.44 -34.65 78.68 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.309 -0.405 . . . . 2.65 110.016 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.4 HG13 ' HG2' ' A' ' 35' ' ' ARG . 78.4 t -79.45 -47.02 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.92 111.254 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 20' ' ' VAL . 18.1 t -60.87 -47.67 92.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 112.993 0.738 . . . . 0.94 112.993 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -88.47 -25.68 22.48 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 114.139 1.163 . . . . 1.24 114.139 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 14.0 mm-40 -129.12 -101.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 118.497 0.589 . . . . 4.46 111.322 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 145.04 -46.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 125.196 1.56 . . . . 2.66 110.713 -177.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 2.0 m -62.9 150.71 41.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.273 -0.876 . . . . 2.08 111.27 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.526 ' HB3' ' C7 ' ' C' ' 4' ' ' ' DT' . 54.1 m170 75.56 16.08 2.61 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.885 0.85 . . . . 1.63 109.995 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.0 t -133.18 122.89 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 114.62 -1.173 . . . . 1.05 107.892 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.6 p -67.56 146.8 53.54 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.516 -0.765 . . . . 1.29 109.215 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.78 -37.26 68.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.107 -0.497 . . . . 1.09 110.211 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -54.55 -43.02 71.64 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.172 -0.467 . . . . 3.08 111.643 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -84.28 -43.2 15.07 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.628 0.233 . . . . 0.98 111.628 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 35' ' ' ARG . 16.1 ttp180 -53.55 -49.88 66.72 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.253 0.549 . . . . 3.63 112.439 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 29.9 mt-10 -71.27 -23.05 61.9 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.973 -1.012 . . . . 1.72 110.702 -177.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -81.21 -30.97 34.12 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.693 -0.685 . . . . 1.44 110.21 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 34' ' ' THR . 96.8 t -78.26 -43.0 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 109.457 -0.572 . . . . 0.68 109.457 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.83 -30.11 67.42 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 122.266 1.031 . . . . 1.7 108.79 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -75.7 -37.91 59.07 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.501 -1.227 . . . . 0.78 111.23 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.18 86.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.502 0.668 . . . . 0.79 110.098 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 mtt -64.63 -24.32 67.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.158 -0.928 . . . . 0.87 111.128 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.47 -34.74 18.58 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.646 0.736 . . . . 0.93 110.298 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 78.8 mm-40 -62.45 -57.76 10.06 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 122.752 1.263 . . . . 1.55 111.309 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.6 OUTLIER -83.04 -15.0 52.77 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 112.96 -1.927 . . . . 1.79 112.304 -177.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 28.7 m-80 67.67 70.89 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.573 0.701 . . . . 2.2 109.796 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' HD1' ' O ' ' A' ' 4' ' ' VAL . 7.1 t80 -83.16 124.29 30.37 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.159 -0.928 . . . . 1.38 110.805 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.77 103.85 55.24 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.652 -0.499 . . . . 1.39 109.652 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.46 112.75 0.96 Allowed 'Trans proline' 0 N--CA 1.486 1.054 0 C-N-CA 123.383 2.722 . . . . 0.78 113.685 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -69.1 108.56 3.63 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.406 0.622 . . . . 0.69 111.122 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.597 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 2.1 mpt_? -70.69 -28.68 64.94 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.451 -0.795 . . . . 4.2 111.203 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.55 -25.51 60.43 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.678 -0.692 . . . . 0.7 110.222 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.587 ' HB3' " C5'" ' D' ' 13' ' ' ' DC' . . . -80.77 -38.61 28.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.079 -0.964 . . . . 0.53 109.338 178.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -66.04 -31.19 71.94 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 114.945 -1.025 . . . . 1.67 108.7 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.498 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 48.8 mt-30 -73.57 -27.6 61.4 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.026 0.441 . . . . 2.66 109.921 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.723 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 8.5 tp -76.43 -42.12 45.14 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.285 -0.416 . . . . 0.61 111.533 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.41 -9.1 58.67 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.085 0.402 . . . . 0.85 112.085 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.75 110.97 2.34 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.715 -0.755 . . . . 1.86 111.594 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.498 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 7.0 mmtt -70.83 114.11 8.57 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.856 0.36 . . . . 6.17 111.814 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -83.25 90.08 7.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.53 -0.305 . . . . 6.76 111.037 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.9 m 69.71 -77.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.869 0.73 . . . . 7.52 112.308 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.5 tp . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.371 -0.823 . . . . 9.27 110.214 -178.897 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttp . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.858 -0.423 . . . . 6.54 109.858 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -87.32 128.3 55.71 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.633 0.254 . . . . 5.5 110.929 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -60.12 124.2 14.74 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.767 2.311 . . . . 1.75 111.17 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.625 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 9.8 t -74.93 175.49 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.531 -0.759 . . . . 0.83 110.366 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.62 ' H ' HG12 ' B' ' 4' ' ' VAL . 27.1 p -131.37 152.18 50.85 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 109.704 -0.48 . . . . 0.68 109.704 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.604 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 0.7 OUTLIER -50.6 -29.51 11.06 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.035 0.921 . . . . 0.66 112.218 177.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.487 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 22.1 m-85 -70.48 -41.02 73.26 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.294 -1.321 . . . . 1.22 111.777 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -64.28 -32.94 74.73 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 108.95 -0.759 . . . . 1.45 108.95 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.615 ' HA ' HD23 ' B' ' 45' ' ' LEU . 49.5 t -66.54 -44.11 90.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 115.654 -0.703 . . . . 0.55 110.098 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.552 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -58.34 -60.51 3.66 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 124.017 0.823 . . . . 0.63 111.269 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.38 -38.89 69.44 Favored 'General case' 0 N--CA 1.445 -0.707 0 O-C-N 123.414 0.446 . . . . 2.46 112.023 -178.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.608 ' CB ' HD21 ' B' ' 45' ' ' LEU . 67.7 t80 -62.1 -47.1 86.12 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.915 -0.402 . . . . 1.39 109.915 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.516 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -78.85 -18.19 54.39 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 112.767 0.654 . . . . 0.69 112.767 -177.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.76 -48.33 0.95 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.5 -1.04 . . . . 1.09 110.5 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.9 m -48.66 159.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 116.638 2.088 . . . . 0.62 116.638 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -71.35 165.24 24.15 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 114.023 -1.444 . . . . 1.31 108.525 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.445 ' HD1' ' CD2' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -68.72 -48.22 64.38 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 110.518 -0.179 . . . . 1.58 110.518 -178.101 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' B' ' 22' ' ' ARG . 24.3 tp60 -55.33 -14.76 2.0 Allowed 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.051 0.929 . . . . 0.89 110.852 176.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.2 m -80.09 -34.9 37.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.177 -0.92 . . . . 0.64 109.806 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.604 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 14.2 t -70.59 -46.36 70.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.714 -1.13 . . . . 1.17 109.514 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 27.5 m -53.62 -51.41 63.18 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.718 -1.216 . . . . 1.13 107.718 175.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 4.0 ttp180 -50.15 -39.29 42.96 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 112.771 -2.013 . . . . 2.87 112.959 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.51 HG11 ' HB ' ' B' ' 38' ' ' VAL . 47.2 t -81.21 -45.45 20.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 O-C-N 122.209 -0.307 . . . . 0.86 110.862 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.5 -46.88 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 122.696 0.398 . . . . 1.03 111.542 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.69 -3.48 57.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 1.25 111.426 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.536 ' OE1' ' HD3' ' B' ' 35' ' ' ARG . 77.5 mm-40 58.06 39.08 26.6 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.117 -0.492 . . . . 3.75 109.919 -178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.17 166.99 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.397 -0.82 . . . . 2.36 111.112 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -80.32 179.92 7.44 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 116.209 -0.45 . . . . 1.96 110.446 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 23.6 m170 64.68 39.64 6.3 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.15 0.5 . . . . 1.34 109.947 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.72 ' HB ' ' NH2' ' B' ' 35' ' ' ARG . 37.1 t -138.27 130.43 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 CA-C-N 116.158 -0.474 . . . . 1.1 110.975 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.555 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 64.5 m -70.54 147.32 49.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.752 -0.658 . . . . 0.98 109.601 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' B' ' 36' ' ' GLU . . . -70.83 -9.07 56.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.37 0.878 . . . . 1.12 113.37 -177.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -91.45 -53.89 4.14 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 107.186 -1.413 . . . . 3.25 107.186 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -55.49 -27.99 51.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 112.918 -1.946 . . . . 0.77 110.999 177.652 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.72 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 33.1 ttm-85 -71.58 -47.86 52.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.449 0.642 . . . . 3.59 110.457 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' B' ' 32' ' ' ALA . 16.6 mm-40 -68.45 -27.67 66.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.375 -0.829 . . . . 1.96 111.101 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.516 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 1.3 tppt? -67.35 -48.42 67.54 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.56 -0.745 . . . . 1.91 109.878 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 34' ' ' THR . 70.5 t -65.88 -37.92 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 115.505 -0.77 . . . . 0.62 112.116 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.7 -31.27 69.2 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.617 -0.433 . . . . 1.68 109.916 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.47 -45.24 69.48 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.075 -0.713 . . . . 0.77 109.075 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.01 62.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.311 -0.859 . . . . 0.65 112.118 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.472 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 52.4 mtt -70.24 -26.23 63.75 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.164 -1.05 . . . . 0.71 108.164 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.26 -12.67 40.03 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.467 -1.242 . . . . 0.9 110.173 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -92.38 -52.68 4.55 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.282 -1.377 . . . . 1.58 107.282 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.615 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.2 OUTLIER -72.53 -10.61 60.0 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 114.006 -1.452 . . . . 1.14 112.566 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t30 60.9 46.14 8.9 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.293 -1.002 . . . . 1.24 108.293 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.625 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.6 t80 -60.97 124.44 20.5 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 113.998 -1.455 . . . . 1.46 111.537 -177.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 10.2 mm -138.32 99.0 8.96 Favored Pre-proline 0 N--CA 1.427 -1.603 0 N-CA-C 103.044 -2.947 . . . . 1.34 103.044 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.445 ' HB2' ' NH1' ' B' ' 51' ' ' ARG . 0.5 OUTLIER -29.78 125.56 0.06 OUTLIER 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.915 3.743 . . . . 0.72 116.825 -175.646 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.454 HD22 " H5'" ' C' ' 12' ' ' ' DG' . 57.9 t-20 -52.23 94.81 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.397 -1.274 . . . . 0.85 110.246 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' B' ' 49' ' ' PRO . 27.5 mmt180 -57.93 -31.36 66.74 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.033 0.753 . . . . 4.55 113.033 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 78.1 m -73.38 -59.65 2.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 120.792 -0.363 . . . . 0.73 110.923 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.36 86.01 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.688 0.625 . . . . 0.64 112.688 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.535 ' HG2' H5'' ' C' ' 13' ' ' ' DA' . 10.8 mt-30 -63.97 -43.49 95.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.98 0.419 . . . . 1.04 111.129 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -60.87 -36.73 79.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.793 0.806 . . . . 2.45 108.877 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.556 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.5 tp -69.7 -47.52 62.91 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.5 -1.227 . . . . 0.65 110.803 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.61 -63.14 1.25 Allowed 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.687 -0.405 . . . . 1.07 110.332 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.51 -27.3 0.76 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 118.742 -1.694 . . . . 1.6 110.938 175.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.596 ' HD3' H5'' ' C' ' 14' ' ' ' DT' . 34.1 mtpt -125.48 -176.46 3.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 122.735 0.414 . . . . 5.04 110.253 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.402 ' HB2' ' H ' ' B' ' 61' ' ' SER . 32.1 mm-40 -134.24 -91.59 0.34 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.824 0.345 . . . . 6.57 110.273 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.402 ' H ' ' HB2' ' B' ' 60' ' ' GLN . 0.7 OUTLIER -90.61 -30.74 17.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.582 0.706 . . . . 6.55 109.12 179.463 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 37.4 mt . . . . . 0 C--O 1.252 1.209 0 CA-C-N 114.756 -1.111 . . . . 8.33 109.36 -179.808 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . 0.497 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.501 -1.45 0 C3'-C2'-C1' 99.708 -2.137 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.497 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.503 -1.305 0 O4'-C1'-C2' 103.91 -1.991 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.493 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.419 -1.342 0 O4'-C1'-C2' 103.83 -2.063 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.589 ' C6 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 C3'-C2'-C1' 99.76 -2.1 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.589 ' H72' ' C6 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C3'-C2'-C1' 99.722 -2.127 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.568 ' C8 ' " H1'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.803 0 O4'-C1'-C2' 104.1 -1.818 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.456 ' H71' ' HB3' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 C3'-C2'-C1' 99.834 -2.047 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 C3'-C2'-C1' 99.138 -2.544 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.999 0 C3'-C2'-C1' 99.28 -2.443 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C3'-C2'-C1' 99.163 -2.527 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.47 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.513 -0.59 0 O4'-C1'-C2' 103.829 -2.065 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.723 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.419 -1.293 0 C3'-C2'-C1' 98.577 -2.945 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.601 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.498 -1.644 0 C3'-C2'-C1' 100.093 -1.862 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.539 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 P--O3' 1.588 -1.625 0 C3'-C2'-C1' 99.601 -2.214 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.596 H5'' ' HD3' ' B' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-C2' 104.048 -1.866 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.456 0.895 0 O4'-C1'-C2' 103.899 -2.001 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.921 0 C3'-C2'-C1' 99.934 -1.975 . . . . 0.86 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.501 -1.437 0 C3'-C2'-C1' 99.929 -1.979 . . . . 0.93 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.243 0 C3'-C2'-C1' 100.146 -1.824 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.198 0 C3'-C2'-C1' 99.818 -2.059 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.148 0 C3'-C2'-C1' 99.23 -2.479 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.513 H2'' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.13 0 C3'-C2'-C1' 99.55 -2.25 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.513 ' H71' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.726 0 C3'-C2'-C1' 99.068 -2.594 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 100.347 -1.681 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.111 0 C4'-C3'-C2' 102.053 -1.147 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.49 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 P--O3' 1.628 1.717 0 O4'-C1'-C2' 107.32 1.109 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.566 ' C6 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C3'-C2'-C1' 104.447 1.248 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.566 ' H72' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.527 0.886 0 C3'-C2'-C1' 105.105 1.718 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.75 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.656 0 C5'-C4'-C3' 116.551 1.234 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.75 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.465 1.241 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.472 ' H71' " C2'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C3'-C2'-C1' 104.675 1.411 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.474 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C3'-C2'-C1' 104.217 1.084 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.499 H2'' ' OP2' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.535 0.742 0 C5'-C4'-O4' 107.65 -1.094 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.499 ' OP2' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.962 0 C5'-C4'-C3' 116.089 0.926 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.499 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.935 0 C3'-C2'-C1' 105.46 1.971 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.556 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C3'-C2'-C1' 101.34 -0.972 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.587 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.422 -1.137 0 O4'-C4'-C3' 106.93 1.33 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.413 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-C1' 104.143 1.03 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.541 ' C4 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 P--O3' 1.624 1.376 0 C3'-C2'-C1' 105.299 1.856 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.461 ' OP2' H2'' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.376 1.16 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.456 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C5'-C4'-C3' 116.365 1.11 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 C5'-C4'-C3' 116.631 1.287 . . . . 1.21 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.44 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.627 0 O4'-C1'-C2' 107.232 1.029 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.501 H2'' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 C1'-O4'-C4' 110.857 0.826 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.501 ' C6 ' H2'' ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C5'-C4'-C3' 115.786 0.724 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 N19-C1'-C2' 116.137 1.211 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 mtp . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.672 -0.122 . . . . 6.94 110.672 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -69.21 -59.01 5.49 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-O 119.497 -0.287 . . . . 5.85 110.757 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -89.67 152.32 5.16 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 121.965 1.777 . . . . 1.9 111.38 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.557 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 89.8 t -105.61 171.3 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 106.948 -1.501 . . . . 0.99 106.948 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 9' ' ' VAL . 6.8 p -135.63 163.07 30.97 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 118.16 0.436 . . . . 0.72 110.15 -176.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.643 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -63.62 -16.7 61.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.536 0.684 . . . . 0.66 109.212 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.547 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 47.1 m-85 -77.21 -40.42 45.12 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.275 -0.875 . . . . 0.68 110.184 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.56 -38.48 91.27 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.192 -1.04 . . . . 1.86 108.192 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 5' ' ' THR . 23.1 t -65.31 -42.9 94.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 112.944 -1.934 . . . . 0.66 109.078 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.61 97.31 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.699 -1.137 . . . . 0.65 110.899 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 9.3 mm-40 -69.05 -47.06 66.32 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.077 0.465 . . . . 2.41 110.286 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.576 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 1.8 t80 -61.76 -32.96 73.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.419 -0.81 . . . . 1.68 111.04 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' HB1' HG22 ' A' ' 38' ' ' VAL . . . -90.0 -20.49 23.21 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.842 -0.617 . . . . 0.71 111.529 -176.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.61 40.6 14.77 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.212 -0.994 . . . . 0.68 110.637 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.459 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.8 m -136.24 -171.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.035 -0.583 . . . . 0.62 109.731 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.3 m -97.78 153.95 17.94 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.815 -0.809 . . . . 1.03 108.815 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.643 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 35.8 p90 -53.11 -45.59 68.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.357 -0.383 . . . . 1.38 111.204 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' CD ' ' H41' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -62.47 -23.48 66.93 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.792 -0.363 . . . . 2.08 111.352 176.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.5 m -70.12 -43.29 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.83 -0.804 . . . . 0.61 108.83 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 24' ' ' VAL . 79.6 t -58.79 -46.86 90.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.076 -0.965 . . . . 0.65 110.847 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.9 m -59.06 -28.88 66.87 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.776 0.322 . . . . 1.22 111.44 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -74.6 -28.95 61.13 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.988 -0.551 . . . . 2.65 109.823 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.534 HG22 HG11 ' A' ' 30' ' ' VAL . 95.4 t -79.3 -42.6 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.383 0.611 . . . . 0.92 109.826 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 20' ' ' VAL . 19.4 t -65.55 -53.48 38.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.948 -1.024 . . . . 0.94 111.66 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -82.62 -34.36 27.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.97 1.1 . . . . 1.24 113.97 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 43.0 mt-30 -125.41 -117.72 0.28 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 118.163 0.438 . . . . 4.46 111.196 -177.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 155.89 -29.64 0.0 OUTLIER 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.816 1.323 . . . . 2.66 111.985 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -42.87 -92.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.955 1.094 . . . . 2.08 113.955 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.468 ' HB3' ' C7 ' ' C' ' 3' ' ' ' DT' . 3.0 m-70 -61.73 42.24 0.01 OUTLIER 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.806 1.242 . . . . 1.63 114.323 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.534 HG11 HG22 ' A' ' 23' ' ' VAL . 2.8 t -135.81 113.89 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.275 0 N-CA-C 108.475 -0.935 . . . . 1.05 108.475 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.1 m -50.63 135.15 23.58 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 123.881 0.738 . . . . 1.29 109.644 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.25 -36.96 53.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.261 -0.427 . . . . 1.09 110.934 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -60.09 -37.69 80.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 3.08 111.471 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -91.23 -42.62 10.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.53 0.567 . . . . 0.98 112.53 -178.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.462 HH11 ' HD3' ' A' ' 35' ' ' ARG . 36.9 ttp180 -55.54 -51.3 67.53 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.204 0.526 . . . . 3.63 112.043 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -69.58 -19.8 63.66 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.352 -0.84 . . . . 1.72 110.736 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -86.4 -28.86 23.3 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.191 -0.459 . . . . 1.44 110.033 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 34' ' ' THR . 83.2 t -74.08 -40.03 51.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.003 -0.74 . . . . 0.68 109.003 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -60.82 -32.02 71.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.626 . . . . 1.7 109.815 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -75.7 -29.81 59.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.054 -0.976 . . . . 0.78 110.726 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.591 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -65.4 -44.22 88.18 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.718 -0.475 . . . . 0.79 109.718 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.445 ' HE3' HG12 ' A' ' 38' ' ' VAL . 37.6 mtt -56.21 -26.53 51.41 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.298 -0.865 . . . . 0.87 112.758 -178.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.68 -24.14 29.1 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.631 0.729 . . . . 0.93 110.397 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 35.3 mm-40 -72.89 -60.92 2.0 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.023 -0.989 . . . . 1.55 112.577 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.719 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -84.53 -5.98 59.34 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.539 -0.755 . . . . 1.79 112.167 -178.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 69.87 66.4 0.23 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.528 0.517 . . . . 2.2 110.892 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.557 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.5 t80 -81.78 126.43 31.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.31 -0.405 . . . . 1.38 111.834 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.77 117.17 34.18 Favored Pre-proline 0 N--CA 1.443 -0.812 0 N-CA-C 109.497 -0.557 . . . . 1.39 109.497 177.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.01 121.44 10.0 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.144 2.563 . . . . 0.78 112.213 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -74.31 99.49 3.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.024 0.44 . . . . 0.69 111.684 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -58.94 -33.07 70.18 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.561 -0.745 . . . . 4.2 112.703 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -40.25 64.83 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 118.118 0.417 . . . . 0.7 110.469 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -68.39 -41.37 80.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.475 -0.935 . . . . 0.53 108.475 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -57.95 -28.94 64.78 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.947 -1.479 . . . . 1.67 109.931 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -83.57 -41.15 18.21 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.593 -0.276 . . . . 2.66 110.401 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.616 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 12.6 tp -56.53 -53.66 54.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.62 0.575 . . . . 0.61 110.886 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.23 -12.23 53.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.735 0.778 . . . . 0.85 109.378 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.47 -31.63 71.21 Favored Glycine 0 N--CA 1.438 -1.194 0 CA-C-N 114.328 -1.306 . . . . 1.86 114.516 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp 72.6 28.49 2.18 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.848 0.832 . . . . 6.17 109.275 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -113.56 -1.92 13.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.997 -1.001 . . . . 6.76 110.752 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -28.44 62.89 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.686 -0.688 . . . . 7.52 110.26 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.117 0 CA-C-N 115.125 -0.943 . . . . 9.27 109.209 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 110.244 -0.28 . . . . 6.54 110.244 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.539 ' HB3' ' HD3' ' B' ' 3' ' ' PRO . 22.4 tptm -65.99 -61.35 5.66 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-O 119.663 -0.208 . . . . 5.5 111.044 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' B' ' 2' ' ' LYS . 55.2 Cg_endo -74.64 113.76 3.87 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.296 1.33 . . . . 1.75 109.958 177.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.754 HG21 ' O ' ' B' ' 45' ' ' LEU . 20.4 t -81.56 153.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.091 -0.959 . . . . 0.83 109.546 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.675 HG22 ' HB2' ' B' ' 50' ' ' ASN . 76.9 p -135.53 171.13 14.89 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.914 -0.585 . . . . 0.68 111.421 -176.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.69 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.5 OUTLIER -50.21 -29.78 10.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.125 0.488 . . . . 0.66 111.258 178.765 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.533 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 33.1 m-85 -71.86 -38.35 70.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.93 -0.577 . . . . 1.22 110.922 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.405 ' CB ' HG13 ' B' ' 4' ' ' VAL . 0.4 OUTLIER -69.1 -31.62 70.46 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.605 0.717 . . . . 1.45 109.258 178.825 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.711 ' HA ' HD23 ' B' ' 45' ' ' LEU . 29.0 t -71.06 -45.13 73.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.692 -1.14 . . . . 0.55 110.684 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.654 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -59.89 -43.52 94.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.871 -0.604 . . . . 0.63 111.837 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -62.11 -52.84 62.24 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.023 -0.535 . . . . 2.46 112.231 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.585 ' HB3' HD21 ' B' ' 45' ' ' LEU . 62.1 t80 -60.2 -48.97 79.49 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.825 0.676 . . . . 1.39 112.825 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.77 -19.82 63.5 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 112.437 0.532 . . . . 0.69 112.437 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.91 47.46 19.41 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 119.87 -1.157 . . . . 1.09 111.622 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -132.65 165.13 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.238 0 N-CA-C 107.914 -1.143 . . . . 0.62 107.914 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.4 p -68.85 152.02 45.84 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.335 -1.357 . . . . 1.31 107.335 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.449 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -64.18 -17.81 63.87 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 111.717 0.266 . . . . 1.58 111.717 -178.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -25.01 32.84 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.877 -0.786 . . . . 0.89 108.877 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 23' ' ' VAL . 19.7 m -62.59 -36.59 83.21 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.571 -0.74 . . . . 0.64 109.471 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.654 HG21 ' HB2' ' B' ' 10' ' ' ALA . 2.7 t -65.66 -47.75 85.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 114.641 -1.163 . . . . 1.17 109.2 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.7 t -56.34 -48.26 77.13 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.882 -1.155 . . . . 1.13 107.882 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -42.16 64.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.014 -0.994 . . . . 2.87 112.665 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 19' ' ' THR . 77.4 t -75.2 -33.15 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.169 0.509 . . . . 0.86 110.921 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 t -75.67 -33.14 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.809 -0.632 . . . . 1.03 110.897 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -76.12 -82.26 0.08 Allowed 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.581 0.705 . . . . 1.25 110.708 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -154.87 96.78 1.89 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.345 -1.298 . . . . 3.75 109.577 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.12 120.96 5.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.783 -0.644 . . . . 2.36 110.385 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -159.44 -46.11 0.05 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.895 -0.593 . . . . 1.96 111.136 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -103.13 39.1 1.62 Allowed 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.203 -1.036 . . . . 1.34 108.203 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.4 ' CG1' ' HB ' ' B' ' 34' ' ' THR . 3.7 t -137.74 141.15 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.147 -0.933 . . . . 1.1 109.727 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.47 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 72.2 m -75.73 160.23 30.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.066 -0.515 . . . . 0.98 110.468 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.92 -51.89 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.819 0.342 . . . . 1.12 111.584 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -52.79 -59.51 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.518 -0.764 . . . . 3.25 110.937 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.47 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -52.84 -41.08 63.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.682 -1.145 . . . . 0.77 112.103 -179.077 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 21.9 ttp180 -63.15 -48.44 78.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.4 0.619 . . . . 3.59 110.802 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -75.14 -25.55 58.48 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.274 -0.876 . . . . 1.96 112.357 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -68.33 -39.84 81.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.281 0.562 . . . . 1.91 109.695 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.46 ' O ' ' HG3' ' B' ' 42' ' ' MET . 73.9 t -70.15 -40.18 77.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.405 -0.816 . . . . 0.62 110.346 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 36.7 mt-10 -63.42 -40.78 98.1 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.057 -0.52 . . . . 1.68 110.04 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.06 -48.88 76.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.658 -0.701 . . . . 0.77 110.547 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.37 -30.21 27.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.298 -0.865 . . . . 0.65 111.779 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.46 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 58.1 mtt -62.18 -21.74 65.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.117 -0.492 . . . . 0.71 110.564 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.83 -51.41 5.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.348 -0.387 . . . . 0.9 110.823 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.59 -46.89 83.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.263 -0.88 . . . . 1.58 109.855 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.754 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -74.81 -21.87 59.05 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.781 -1.1 . . . . 1.14 110.936 179.256 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t30 64.93 45.61 3.13 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 107.063 -1.458 . . . . 1.24 107.063 -175.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.621 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.3 t80 -59.83 121.09 10.85 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 114.568 -1.196 . . . . 1.46 111.131 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.1 mm -127.05 106.02 22.16 Favored Pre-proline 0 N--CA 1.435 -1.191 0 N-CA-C 104.228 -2.508 . . . . 1.34 104.228 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.457 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 2.1 Cg_exo -34.03 126.29 0.17 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.944 3.096 . . . . 0.72 114.415 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.675 ' HB2' HG22 ' B' ' 5' ' ' THR . 38.8 t-20 -65.93 81.34 0.07 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.193 -0.912 . . . . 0.85 110.714 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -48.14 -25.63 1.55 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 114.259 1.207 . . . . 4.55 114.259 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 16.2 m -77.73 -52.47 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.556 -0.715 . . . . 0.73 110.959 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.56 -34.87 67.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.025 -0.534 . . . . 0.64 110.964 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.457 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 26.0 mt-30 -70.13 -28.32 65.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.914 -0.584 . . . . 1.04 111.938 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -81.26 -22.29 38.81 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.866 -1.161 . . . . 2.45 107.866 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.601 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.2 tp -85.39 -39.45 17.58 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.028 -0.987 . . . . 0.65 111.133 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.96 2.49 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.268 0.47 . . . . 1.07 112.268 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.94 54.65 5.21 Favored Glycine 0 CA--C 1.517 0.184 0 C-N-CA 120.9 -0.667 . . . . 1.6 113.542 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -137.03 122.02 18.94 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.168 -0.679 . . . . 5.04 109.168 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 65.98 10.15 6.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.488 -0.778 . . . . 6.57 110.954 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -83.06 -3.06 56.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 6.55 111.858 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.631 -0.699 . . . . 8.33 110.183 -179.046 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . 0.509 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.501 -1.412 0 C3'-C2'-C1' 99.127 -2.552 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.509 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.92 0 C3'-C2'-C1' 99.176 -2.517 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.507 ' C8 ' ' H71' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 C3'-C2'-C1' 98.699 -2.858 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.589 ' C6 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C3'-C2'-C1' 99.708 -2.137 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.589 ' H72' ' C6 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.083 0 C3'-C2'-C1' 99.659 -2.172 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.578 ' N7 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.942 0 C3'-C2'-C1' 99.995 -1.932 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.43 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.505 -1.132 0 C3'-C2'-C1' 99.646 -2.182 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . 0.522 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.137 0 C3'-C2'-C1' 99.357 -2.388 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.522 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 99.666 -2.167 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.569 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.582 0 C3'-C2'-C1' 99.005 -2.639 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.569 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.511 -0.728 0 O4'-C1'-C2' 103.95 -1.955 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.616 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.493 -2.006 0 C3'-C2'-C1' 98.998 -2.644 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.597 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.496 -1.768 0 O4'-C1'-C2' 104.072 -1.844 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.69 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 P--O3' 1.596 -0.911 0 C3'-C2'-C1' 99.518 -2.273 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C5'-C4'-C3' 117.727 2.018 . . . . 0.67 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.853 0 C3'-C2'-C1' 99.729 -2.122 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.469 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.505 -1.156 0 C3'-C2'-C1' 99.988 -1.937 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.469 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.258 0 C3'-C2'-C1' 99.697 -2.145 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.444 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.804 0 C3'-C2'-C1' 99.712 -2.135 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.823 0 O4'-C1'-C2' 103.894 -2.005 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 C3'-C2'-C1' 99.939 -1.972 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.411 H2'' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.935 0 C3'-C2'-C1' 99.256 -2.46 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.411 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.981 0 C3'-C2'-C1' 99.261 -2.457 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.846 0 C5'-C4'-C3' 116.315 1.077 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C4'-C3'-C2' 102.063 -1.137 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.569 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C5'-C4'-C3' 116.558 1.239 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.569 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C1'-O4'-C4' 111.179 1.057 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.415 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.527 0.893 0 C3'-C2'-C1' 104.962 1.616 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.508 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 C5'-C4'-C3' 116.117 0.945 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.508 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 C4'-C3'-C2' 104.005 0.805 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.405 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C5'-C4'-C3' 116.38 1.12 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.508 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C5'-C4'-C3' 116.843 1.429 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.508 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.512 -0.649 0 C4'-C3'-C2' 104.127 0.927 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.464 H2'' ' OP2' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 107.155 0.959 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.55 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.896 0 C3'-C2'-C1' 105.427 1.948 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.601 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 P--O3' 1.614 0.592 0 C3'-C2'-C1' 101.168 -1.094 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.559 ' C4 ' ' C5 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C3'-C2'-C1' 105.147 1.748 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.622 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C3'-C2'-C1' 105.279 1.842 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.622 ' C6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 108.03 1.754 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.484 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.922 0 O4'-C1'-C2' 104.784 -1.197 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.484 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O3'-P-O5' 102.489 -0.795 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.488 ' C6 ' ' N6 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.561 0 C5'-C4'-C3' 116.301 1.067 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.488 ' N6 ' ' C6 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 102.262 -0.938 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.549 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C5'-C4'-O4' 108.451 -0.593 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.549 ' H71' " C2'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C4'-C3'-C2' 102.114 -1.086 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . 0.413 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 N19-C1'-C2' 116.127 1.204 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 mmt . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.292 0.092 . . . . 6.94 110.754 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.537 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 47.1 tptt -68.1 -50.64 30.03 Favored Pre-proline 0 C--N 1.332 -0.181 0 C-N-CA 120.725 -0.39 . . . . 5.85 111.474 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 2' ' ' LYS . 29.7 Cg_endo -64.44 179.03 1.37 Allowed 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 121.517 1.478 . . . . 1.9 113.333 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.622 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 43.8 t -116.29 -179.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 106.453 -1.684 . . . . 0.99 106.453 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.615 ' H ' HG12 ' A' ' 4' ' ' VAL . 8.4 p -140.14 165.5 27.19 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 118.679 0.672 . . . . 0.72 110.398 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -63.78 -20.91 66.14 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.08 -0.964 . . . . 0.66 109.937 177.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -76.1 -36.56 58.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 116.309 -0.405 . . . . 0.68 110.301 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.59 -40.6 95.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.761 -1.2 . . . . 1.86 107.761 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.493 HG21 ' CD2' ' A' ' 47' ' ' TYR . 39.5 t -64.27 -46.28 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 113.942 -1.481 . . . . 0.66 109.7 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.455 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -63.1 -39.19 93.96 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.596 -1.184 . . . . 0.65 111.179 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -66.93 -49.99 63.77 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.127 0.489 . . . . 2.41 110.019 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.682 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.4 t80 -59.37 -34.47 72.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.718 -0.673 . . . . 1.68 111.092 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.617 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -87.82 -19.77 26.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.008 -0.996 . . . . 0.71 112.048 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.54 32.76 54.07 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.182 -1.167 . . . . 0.68 110.182 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.1 m -124.16 -169.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 114.948 -0.626 . . . . 0.62 110.228 -177.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.455 ' OG ' " H2'" ' C' ' 5' ' ' ' DG' . 39.9 m -100.54 150.49 22.63 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.27 -1.011 . . . . 1.03 108.27 178.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.512 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.4 p90 -52.45 -39.19 60.79 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.206 -0.598 . . . . 1.38 111.004 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.484 ' NE2' ' HG3' ' A' ' 22' ' ' ARG . 8.0 tp60 -65.32 -27.22 68.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 120.567 -0.453 . . . . 2.08 111.372 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 23' ' ' VAL . 85.1 m -65.29 -41.44 94.14 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.561 -0.903 . . . . 0.61 108.561 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.611 ' O ' HG23 ' A' ' 24' ' ' VAL . 80.5 t -63.91 -55.06 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.623 -1.171 . . . . 0.65 110.086 176.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m -58.38 -26.4 63.15 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.31 -0.405 . . . . 1.22 112.048 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HG3' ' NE2' ' A' ' 18' ' ' GLN . 23.2 mtm-85 -68.81 -32.09 71.56 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.404 -0.591 . . . . 2.65 109.404 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.49 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 58.2 t -85.95 -42.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.703 -0.68 . . . . 0.92 111.083 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 20' ' ' VAL . 21.8 t -63.34 -47.55 91.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.561 -0.745 . . . . 0.94 111.592 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.455 ' C ' ' HG2' ' A' ' 26' ' ' GLN . 2.8 m120 -66.64 -43.09 85.57 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.77 -0.65 . . . . 1.24 112.501 -178.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.455 ' HG2' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -166.15 -67.08 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.476 0.547 . . . . 4.46 112.476 -178.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.49 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 97.86 145.91 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 125.749 1.619 . . . . 2.66 112.396 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 t -171.64 -89.26 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.274 -1.33 . . . . 2.08 107.844 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.546 ' HB3' ' C7 ' ' C' ' 3' ' ' ' DT' . 13.1 m170 -66.56 52.48 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.596 1.158 . . . . 1.63 112.381 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -140.57 129.95 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 N-CA-C 107.229 -1.397 . . . . 1.05 107.229 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.5 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 36.2 m -60.21 132.72 54.81 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 109.343 -0.614 . . . . 1.29 109.343 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.604 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -52.43 -36.97 55.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 1.09 111.097 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -59.67 -42.78 93.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.596 -0.729 . . . . 3.08 110.314 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.5 ' OG1' ' HB2' ' A' ' 31' ' ' SER . 0.0 OUTLIER -72.27 -39.87 68.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.711 -0.222 . . . . 0.98 111.2 -179.066 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 35' ' ' ARG . 41.5 mtm-85 -55.89 -48.78 75.01 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.271 0.557 . . . . 3.63 111.609 179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 14.2 mt-10 -68.96 -19.79 64.17 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.984 -1.007 . . . . 1.72 110.929 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -86.44 -32.24 20.96 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.579 -0.282 . . . . 1.44 110.417 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.544 HG11 ' HA ' ' A' ' 20' ' ' VAL . 53.6 t -74.6 -43.2 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.359 -0.608 . . . . 0.68 109.359 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 33.8 mt-10 -66.05 -21.7 66.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.18 -0.918 . . . . 1.7 110.177 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.737 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -82.67 -35.72 26.59 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.195 -0.911 . . . . 0.78 109.251 177.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.682 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -68.24 -46.21 71.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.282 -0.417 . . . . 0.79 110.266 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.598 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.8 ptp -68.16 -17.96 64.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.398 -0.819 . . . . 0.87 111.424 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.28 -24.11 27.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.305 -0.628 . . . . 0.93 109.305 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.737 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 48.4 mm-40 -72.45 -63.12 1.22 Allowed 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 114.995 -1.002 . . . . 1.55 112.509 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.757 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.75 -0.78 28.3 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.289 -0.869 . . . . 1.79 111.384 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 66.11 65.53 0.51 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.697 0.76 . . . . 2.2 111.937 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.622 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.0 t80 -84.23 125.39 32.17 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.071 -0.968 . . . . 1.38 112.28 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -112.13 114.28 51.24 Favored Pre-proline 0 N--CA 1.443 -0.798 0 CA-C-N 114.861 -1.063 . . . . 1.39 109.47 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -60.55 115.08 2.43 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 121.858 1.706 . . . . 0.78 110.962 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -76.71 103.61 6.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.49 0.662 . . . . 0.69 111.512 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -65.79 -16.42 63.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 4.2 110.642 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.36 -45.43 62.88 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.367 -0.605 . . . . 0.7 109.367 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.673 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -67.42 -38.03 83.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.343 -0.844 . . . . 0.53 109.64 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.514 ' HG3' H5'' ' D' ' 14' ' ' ' DT' . 18.3 tt0 -61.89 -44.65 96.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.068 -0.969 . . . . 1.67 110.149 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' HG2' HD22 ' A' ' 62' ' ' LEU . 34.6 mt-30 -62.47 -29.02 70.22 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.085 0.469 . . . . 2.66 110.606 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.775 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 8.3 tp -77.6 -45.53 24.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.977 -0.556 . . . . 0.61 110.842 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.28 -19.72 61.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.88 -0.6 . . . . 0.85 111.327 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 61' ' ' SER . . . -91.43 96.48 2.19 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.926 -0.654 . . . . 1.86 111.97 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -53.86 -39.46 65.68 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.668 0.746 . . . . 6.17 110.33 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -135.05 30.26 3.34 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.227 -0.897 . . . . 6.76 110.547 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.425 ' O ' ' HA3' ' A' ' 58' ' ' GLY . 74.7 m -145.98 128.17 15.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.908 -0.587 . . . . 7.52 111.556 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.442 HD22 ' HG2' ' A' ' 55' ' ' GLN . 31.6 mt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.177 -0.916 . . . . 9.27 109.333 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.9 ttt . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 121.088 0.471 . . . . 6.54 110.07 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -105.31 140.44 21.13 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 115.63 -0.713 . . . . 5.5 110.261 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.04 116.51 3.96 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.2 1.933 . . . . 1.75 111.057 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.627 HG12 ' H ' ' B' ' 5' ' ' THR . 4.9 t -127.82 174.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.455 -0.793 . . . . 0.83 109.947 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.736 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 17.4 p -136.06 161.75 34.82 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 119.388 -0.339 . . . . 0.68 111.568 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.83 -29.56 55.24 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 123.657 0.598 . . . . 0.66 111.278 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.576 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 26.6 m-85 -67.98 -36.97 80.92 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 116.228 -0.442 . . . . 1.22 110.95 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -71.63 -26.71 62.67 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.466 -0.494 . . . . 1.45 109.969 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.0 -44.43 50.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-N 115.925 -0.58 . . . . 0.55 110.047 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.617 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -57.03 -52.71 64.18 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.087 -0.96 . . . . 0.63 111.0 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.23 -51.77 68.35 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.786 -1.097 . . . . 2.46 111.773 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.462 ' CD1' HD21 ' B' ' 45' ' ' LEU . 24.8 t80 -61.17 -53.83 52.05 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.642 0.608 . . . . 1.39 112.642 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.04 69.44 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 120.815 0.34 . . . . 0.69 111.874 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.68 51.49 4.04 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.761 -0.733 . . . . 1.09 111.4 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.545 HG12 HG22 ' B' ' 34' ' ' THR . 16.2 m -136.56 163.93 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.809 0 N-CA-C 108.407 -0.96 . . . . 0.62 108.407 178.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 30.6 p -67.06 157.31 33.86 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.498 -1.297 . . . . 1.31 107.498 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.42 ' OH ' ' N7 ' ' C' ' 13' ' ' ' DA' . 0.0 OUTLIER -71.03 -13.39 61.97 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.84 0.352 . . . . 1.58 110.217 -178.229 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -85.49 -40.7 16.07 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.306 -1.368 . . . . 0.89 107.306 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -49.74 -35.39 22.0 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.117 -1.402 . . . . 0.64 110.627 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.617 HG21 ' HB2' ' B' ' 10' ' ' ALA . 2.2 t -69.55 -49.43 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.019 -0.991 . . . . 1.17 110.072 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.4 ' OG ' ' H73' ' C' ' 14' ' ' ' DT' . 58.3 m -52.49 -49.24 65.12 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.247 -1.39 . . . . 1.13 107.247 177.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -53.04 -46.06 68.3 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 113.711 -1.586 . . . . 2.87 112.861 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.07 -34.8 46.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.58 -0.282 . . . . 0.86 110.892 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.21 -30.45 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-N 115.52 -0.764 . . . . 1.03 111.405 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -97.5 -83.43 0.4 Allowed 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 112.719 0.637 . . . . 1.25 112.719 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -149.97 93.65 2.05 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.363 -0.835 . . . . 3.75 109.703 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.1 124.44 10.18 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.619 -0.719 . . . . 2.36 109.68 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.35 -42.66 1.66 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.322 0.582 . . . . 1.96 111.308 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.419 ' HA ' ' OP2' ' D' ' 3' ' ' ' DT' . 5.2 m170 -122.46 37.94 4.27 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.325 -0.852 . . . . 1.34 108.905 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.13 125.64 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.112 -0.949 . . . . 1.1 111.333 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.492 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 57.3 m -62.74 157.17 21.73 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.61 -0.723 . . . . 0.98 110.578 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.83 -58.3 8.44 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.11 0.782 . . . . 1.12 113.11 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -53.21 -49.5 66.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.313 -0.403 . . . . 3.25 111.711 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.545 HG22 HG12 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -59.43 -33.86 71.79 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 123.601 0.563 . . . . 0.77 111.84 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 36.5 ttp85 -72.82 -42.4 63.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.245 0.545 . . . . 3.59 109.817 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.6 -39.03 77.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.52 -0.763 . . . . 1.96 111.951 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -59.48 -43.37 93.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.279 -0.873 . . . . 1.91 111.542 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' B' ' 42' ' ' MET . 87.5 t -68.22 -37.13 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 CA-C-N 115.618 -0.719 . . . . 0.62 110.761 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.97 -34.87 77.38 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.537 -0.756 . . . . 1.68 109.623 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.93 70.33 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.215 0.531 . . . . 0.77 110.658 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.493 ' O ' HD12 ' B' ' 45' ' ' LEU . . . -55.16 -28.81 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.775 -1.102 . . . . 0.65 112.555 178.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 67.0 mtt -65.54 -20.4 66.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.005 -0.543 . . . . 0.71 110.136 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.85 -54.11 4.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.795 -0.639 . . . . 0.9 111.947 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.47 -56.12 15.07 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.203 1.001 . . . . 1.58 111.884 -179.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.493 HD12 ' O ' ' B' ' 41' ' ' ALA . 2.4 mt -76.91 -8.05 56.66 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.438 -1.71 . . . . 1.14 112.87 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.527 ' O ' HG12 ' B' ' 48' ' ' ILE . 6.1 t-20 57.21 47.21 17.44 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.397 0.618 . . . . 1.24 109.435 -177.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.612 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.0 t80 -57.15 125.82 24.42 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.997 -1.001 . . . . 1.46 109.224 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.527 HG12 ' O ' ' B' ' 46' ' ' ASN . 29.3 mm -134.7 100.36 12.31 Favored Pre-proline 0 N--CA 1.429 -1.5 0 N-CA-C 104.269 -2.493 . . . . 1.34 104.269 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.473 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.1 OUTLIER -30.05 127.65 0.06 OUTLIER 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 124.729 3.62 . . . . 0.72 115.58 -176.641 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.571 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 39.2 t-20 -62.33 87.78 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 115.856 -0.611 . . . . 0.85 109.58 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -53.72 -27.56 28.94 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.991 1.108 . . . . 4.55 113.991 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 56.3 m -77.92 -60.82 2.21 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 111.976 0.362 . . . . 0.73 111.976 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.421 ' HB3' " H4'" ' C' ' 12' ' ' ' DG' . . . -61.91 -42.66 99.35 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.109 -0.496 . . . . 0.64 111.313 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 47.8 mt-30 -56.57 -59.1 5.49 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.312 -0.858 . . . . 1.04 110.07 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -51.1 -27.73 9.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.241 -0.436 . . . . 2.45 110.946 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.673 HD11 ' HB2' ' A' ' 53' ' ' ALA . 2.0 tp -75.43 -46.47 32.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.002 -0.545 . . . . 0.65 110.206 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.1 6.29 3.59 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.852 0.686 . . . . 1.07 112.852 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.71 36.61 6.38 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 119.876 -1.154 . . . . 1.6 114.562 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.403 ' HB2' ' HB3' ' B' ' 54' ' ' GLN . 23.6 tptp -69.32 133.97 48.52 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.846 -0.427 . . . . 5.04 109.846 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.48 65.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.325 0.583 . . . . 6.57 111.95 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.3 m -145.0 -6.85 0.65 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.765 -0.652 . . . . 6.55 110.732 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 C--O 1.246 0.892 0 N-CA-C 108.742 -0.836 . . . . 8.33 108.742 -179.147 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . 0.421 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.5 -1.523 0 C3'-C2'-C1' 99.065 -2.597 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.421 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.501 -1.453 0 C3'-C2'-C1' 99.69 -2.15 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.507 ' C8 ' ' H71' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.995 0 C3'-C2'-C1' 98.798 -2.787 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.546 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 103.932 -1.971 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.441 ' C2 ' ' C5 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 99.311 -2.421 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.462 ' C2 ' ' C2 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.038 0 C3'-C2'-C1' 100.23 -1.764 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.904 0 C3'-C2'-C1' 99.751 -2.106 . . . . 1.06 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.037 0 C3'-C2'-C1' 99.629 -2.194 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.022 0 C3'-C2'-C1' 99.711 -2.135 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 C3'-C2'-C1' 98.688 -2.866 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.467 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C5'-C4'-C3' 117.709 2.006 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.775 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.497 -1.742 0 C3'-C2'-C1' 98.916 -2.703 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.736 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.497 -1.707 0 C3'-C2'-C1' 99.169 -2.522 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.484 " C5'" ' HG2' ' B' ' 54' ' ' GLN . . . . . . . . 0 P--OP1 1.497 0.726 0 C3'-C2'-C1' 99.626 -2.196 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.4 ' H73' ' OG ' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-C2' 103.898 -2.002 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.942 0 C3'-C2'-C1' 100.012 -1.92 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.439 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C1'-C2' 103.868 -2.029 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.439 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 C3'-C2'-C1' 100.028 -1.909 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.207 0 C3'-C2'-C1' 99.552 -2.249 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.402 " H1'" " H5'" ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.905 0 O4'-C1'-C2' 104.033 -1.879 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.451 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.022 0 O4'-C1'-C2' 103.694 -2.187 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.451 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-C1' 99.292 -2.435 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.433 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.861 0 C3'-C2'-C1' 99.261 -2.456 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . 0.4 " H1'" " H5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.511 -0.748 0 C3'-C2'-C1' 100.898 -1.287 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.4 " H5'" " H1'" ' D' ' -1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C5'-C4'-O4' 108.093 -0.817 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.53 H2'' H5'' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C4'-C3' 104.431 -1.169 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.53 H5'' H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C4'-C3'-C2' 101.53 -1.67 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.461 " H1'" " O4'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.529 1.116 0 C3'-C2'-C1' 105.332 1.88 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.461 " O4'" " H1'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.807 0 C4'-C3'-C2' 104.547 1.347 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.439 ' H72' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C1'-C2' 106.93 0.755 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.419 " C5'" H2'' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-C2' 107.411 1.192 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.476 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C3'-C2'-C1' 104.196 1.069 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.501 H2'' ' C6 ' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.912 0 O4'-C1'-N19 108.603 1.004 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.501 ' C6 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 C3'-C2'-C1' 104.114 1.01 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.534 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.904 0 C3'-C2'-C1' 106.442 2.673 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.615 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.51 -0.775 0 C4'-C3'-C2' 103.76 0.56 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.576 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C5'-C4'-C3' 117.103 1.602 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.514 H5'' ' HG3' ' A' ' 54' ' ' GLN . . . . . . . . 0 P--O3' 1.622 1.275 0 OP2-P-O3' 110.098 0.562 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.503 " H5'" " H1'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 C3'-C2'-C1' 105.479 1.985 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.461 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.562 0 C3'-C2'-C1' 101.823 -0.627 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.461 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 P-O5'-C5' 119.628 -0.795 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.462 ' C2 ' ' C2 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C4'-C3'-C2' 102.275 -0.925 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.567 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 N19-C1'-C2' 112.712 -0.93 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.567 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C4'-C3' 106.557 0.957 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.566 ' H71' " H2'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C5'-C4'-O4' 108.061 -0.837 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . 0.426 ' C6 ' H2'' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.051 0.865 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 121.227 0.537 . . . . 6.94 111.731 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 3' ' ' PRO . 47.8 tttm -122.81 100.71 40.25 Favored Pre-proline 0 C--N 1.309 -1.174 0 N-CA-C 109.138 -0.69 . . . . 5.85 109.138 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 2' ' ' LYS . 34.7 Cg_endo -65.85 130.05 23.63 Favored 'Trans proline' 0 CA--C 1.517 -0.338 0 C-N-CA 122.564 2.176 . . . . 1.9 111.235 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.529 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 65.0 t -117.92 125.21 74.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.777 -1.194 . . . . 0.99 107.777 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.616 HG21 ' P ' ' D' ' 12' ' ' ' DG' . 18.0 p -99.98 178.27 4.85 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 113.228 0.825 . . . . 0.72 113.228 -176.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.519 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.47 -17.46 64.81 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.657 -1.156 . . . . 0.66 109.835 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -76.04 -41.14 51.74 Favored 'General case' 0 N--CA 1.46 0.06 0 CA-C-N 116.219 -0.446 . . . . 0.68 110.526 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -64.88 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 122.649 1.214 . . . . 1.86 107.792 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 5' ' ' THR . 42.6 t -66.15 -48.24 82.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 112.868 -1.969 . . . . 0.66 110.264 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.98 -39.03 80.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.65 111.22 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -49.99 57.57 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.708 -0.678 . . . . 2.41 111.161 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.47 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 70.5 t80 -66.76 -24.74 66.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.561 -0.29 . . . . 1.68 111.682 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -88.91 -24.49 22.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.851 0.834 . . . . 0.71 110.525 -177.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.45 43.65 15.11 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 110.423 -1.071 . . . . 0.68 110.423 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.443 HG22 ' HB3' ' A' ' 13' ' ' ALA . 27.5 m -135.05 -167.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.714 -0.743 . . . . 0.62 110.057 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.1 p -97.88 151.98 19.68 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.246 -1.39 . . . . 1.03 107.246 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.519 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 16.5 p90 -55.03 -38.2 67.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 109.473 -0.565 . . . . 1.38 109.473 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.51 ' CD ' ' H41' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -63.77 -33.68 76.2 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.456 -0.793 . . . . 2.08 111.462 177.182 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.4 m -64.12 -40.98 97.34 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.107 -0.701 . . . . 0.61 109.107 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.667 ' HA ' HG11 ' A' ' 38' ' ' VAL . 43.5 t -59.97 -51.33 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 115.624 -0.716 . . . . 0.65 110.17 177.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -30.55 70.44 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.522 -0.763 . . . . 1.22 110.459 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.62 ' HB3' HG21 ' A' ' 30' ' ' VAL . 39.1 mtt180 -69.74 -31.77 69.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.658 -0.867 . . . . 2.65 108.658 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.61 HG13 ' HG3' ' A' ' 35' ' ' ARG . 78.0 t -80.12 -40.44 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-O 120.828 0.347 . . . . 0.92 110.736 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 20' ' ' VAL . 40.2 t -61.36 -41.21 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-O 121.74 0.781 . . . . 0.94 109.051 178.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -71.32 -33.97 70.13 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.387 -1.279 . . . . 1.24 111.61 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 21.9 mt-30 65.72 53.49 1.18 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.23 0.612 . . . . 4.46 112.136 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.04 -161.27 0.76 Allowed 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.869 -0.605 . . . . 2.66 111.788 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.482 ' O ' HG23 ' A' ' 30' ' ' VAL . 94.2 p -91.93 -173.88 3.63 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.61 -0.723 . . . . 2.08 109.762 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.483 ' O ' ' H71' ' C' ' 4' ' ' ' DT' . 28.8 m170 61.31 25.05 15.07 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 122.02 0.914 . . . . 1.63 110.471 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.62 HG21 ' HB3' ' A' ' 22' ' ' ARG . 59.5 t -136.85 126.49 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 114.788 -1.096 . . . . 1.05 110.382 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m -74.02 142.96 45.73 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.599 0.714 . . . . 1.29 111.052 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.78 -30.58 70.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.921 -0.581 . . . . 1.09 110.712 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 10.7 mtpp -60.0 -52.13 66.69 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.197 0.522 . . . . 3.08 110.353 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -66.62 -36.19 81.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.209 -0.45 . . . . 0.98 111.274 -179.445 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.61 ' HG3' HG13 ' A' ' 23' ' ' VAL . 38.8 ttp180 -59.13 -45.69 90.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.332 -0.395 . . . . 3.63 111.51 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.13 -27.07 62.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.898 0.703 . . . . 1.72 112.898 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -82.11 -25.07 34.76 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.489 0.662 . . . . 1.44 110.96 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.667 HG11 ' HA ' ' A' ' 20' ' ' VAL . 69.1 t -80.91 -40.62 18.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.277 -0.874 . . . . 0.68 109.369 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.87 -34.47 73.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.111 -0.95 . . . . 1.7 109.792 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.73 -38.03 79.89 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.509 -1.223 . . . . 0.78 110.204 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.53 89.36 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.327 -0.852 . . . . 0.79 110.614 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 23.7 mtt -61.29 -27.91 68.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.864 0.69 . . . . 0.87 112.864 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.29 -32.39 24.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.589 0.709 . . . . 0.93 110.34 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.47 ' HG3' ' CE2' ' A' ' 12' ' ' TYR . 21.1 mm-40 -65.64 -57.63 7.64 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-N 114.697 -1.138 . . . . 1.55 110.576 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.409 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -82.92 -9.11 59.46 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.288 -1.324 . . . . 1.79 112.543 -177.642 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.401 ' O ' HD12 ' A' ' 48' ' ' ILE . 17.4 m120 62.21 58.81 1.72 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.84 0.829 . . . . 2.2 109.091 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.529 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 5.7 t80 -76.35 125.45 29.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.667 -1.151 . . . . 1.38 111.315 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 46' ' ' ASN . 3.4 mp -106.52 113.1 63.45 Favored Pre-proline 0 N--CA 1.441 -0.908 0 N-CA-C 109.179 -0.674 . . . . 1.39 109.179 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.04 126.76 17.85 Favored 'Trans proline' 0 N--CA 1.475 0.421 0 C-N-CA 122.832 2.355 . . . . 0.78 111.888 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -85.45 98.6 10.69 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.504 0.668 . . . . 0.69 112.065 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -19.15 63.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.487 -0.779 . . . . 4.2 111.057 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.462 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -77.85 -37.36 48.54 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.261 -0.882 . . . . 0.7 110.003 -179.741 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.884 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -78.41 -41.97 31.54 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.301 0.572 . . . . 0.53 109.978 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' N ' " H4'" ' D' ' 13' ' ' ' DC' . 0.0 OUTLIER -61.43 -31.6 71.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.566 -0.743 . . . . 1.67 110.21 179.218 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.59 -25.95 50.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.287 -0.634 . . . . 2.66 109.287 178.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.698 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 11.2 tp -63.13 -53.65 50.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.559 -0.746 . . . . 0.61 110.199 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.64 -15.04 58.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.491 0.662 . . . . 0.85 110.501 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.91 -137.62 9.75 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 115.464 -0.789 . . . . 1.86 111.468 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 28.6 mmtp -124.67 171.73 9.84 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.443 0.163 . . . . 6.17 110.591 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.577 ' HB2' ' O ' ' A' ' 59' ' ' LYS . 2.1 mp0 76.44 32.02 0.58 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.927 0.767 . . . . 6.76 110.623 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.52 -66.57 0.79 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.916 -0.584 . . . . 7.52 110.253 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.354 -0.831 . . . . 9.27 110.953 179.51 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tmt? . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 109.852 -0.425 . . . . 6.54 109.852 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.404 ' CB ' ' HD3' ' B' ' 3' ' ' PRO . 4.1 mmtm -121.04 -58.64 0.03 OUTLIER Pre-proline 0 C--N 1.32 -0.706 0 CA-C-O 119.513 -0.28 . . . . 5.5 111.017 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.404 ' HD3' ' CB ' ' B' ' 2' ' ' LYS . 2.5 Cg_endo -81.06 157.88 20.43 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 121.524 1.482 . . . . 1.75 112.032 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.695 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 54.5 t -107.07 164.15 4.84 Favored 'Isoleucine or valine' 0 C--O 1.243 0.745 0 N-CA-C 108.866 -0.79 . . . . 0.83 108.866 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.725 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 32.4 p -132.9 162.26 32.07 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 119.978 -0.689 . . . . 0.68 110.279 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.462 HD22 ' OP2' ' C' ' 13' ' ' ' DA' . 0.8 OUTLIER -56.53 -28.31 59.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.672 0.272 . . . . 0.66 110.905 178.151 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.588 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 21.7 m-85 -67.76 -35.0 77.92 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.629 0.728 . . . . 1.22 111.139 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -71.12 -34.46 71.09 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.26 -0.645 . . . . 1.45 109.26 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.615 ' HA ' HD23 ' B' ' 45' ' ' LEU . 60.5 t -68.67 -40.9 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.219 -0.9 . . . . 0.55 110.848 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.671 ' HB2' HG11 ' B' ' 20' ' ' VAL . . . -62.44 -52.23 64.34 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.499 -0.773 . . . . 0.63 111.446 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.28 -49.53 77.26 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.238 -0.892 . . . . 2.46 112.603 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.487 ' CB ' HD21 ' B' ' 45' ' ' LEU . 56.9 t80 -57.91 -43.53 86.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.435 0.531 . . . . 1.39 112.435 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.452 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -75.64 -21.94 57.25 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.675 -0.41 . . . . 0.69 111.502 -177.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.81 46.44 5.99 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.76 -0.733 . . . . 1.09 112.71 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 m -135.24 167.29 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 N-CA-C 108.438 -0.949 . . . . 0.62 108.438 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.7 m -74.41 163.79 27.37 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 120.182 -0.607 . . . . 1.31 109.657 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.495 ' O ' HG12 ' B' ' 20' ' ' VAL . 0.2 OUTLIER -64.49 -40.73 96.21 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 120.873 0.368 . . . . 1.58 110.771 -178.314 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -62.06 -31.98 72.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.231 -0.918 . . . . 0.89 111.03 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -59.8 -49.9 75.91 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.646 0.779 . . . . 0.64 112.071 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.671 HG11 ' HB2' ' B' ' 10' ' ' ALA . 5.3 p -62.95 -43.8 99.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 115.75 -0.659 . . . . 1.17 111.242 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.491 ' CB ' ' H73' ' C' ' 14' ' ' ' DT' . 0.4 OUTLIER -55.69 -48.83 74.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.146 -1.057 . . . . 1.13 108.146 177.44 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.476 ' CZ ' ' H71' ' D' ' 4' ' ' ' DT' . 47.9 mtt180 -52.4 -37.14 55.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.848 -1.069 . . . . 2.87 112.483 178.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.3 t -69.16 -40.58 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.437 -0.579 . . . . 0.86 109.437 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.13 -35.89 73.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-O 121.627 0.727 . . . . 1.03 109.181 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.23 -9.36 58.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.803 -0.635 . . . . 1.25 110.903 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 55.74 44.14 26.74 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.994 -0.743 . . . . 3.75 108.994 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.94 161.79 25.72 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.863 -1.062 . . . . 2.36 111.259 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -28.02 27.9 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.409 -0.814 . . . . 1.96 111.898 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -83.66 47.04 1.23 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.066 -0.516 . . . . 1.34 110.982 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -137.28 120.6 21.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.09 -0.504 . . . . 1.1 109.951 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.448 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 69.9 m -66.74 151.96 46.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.078 -0.51 . . . . 0.98 110.339 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.59 75.92 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 120.694 0.283 . . . . 1.12 111.618 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -58.62 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.316 0.579 . . . . 3.25 111.656 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.45 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -56.52 -40.63 75.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.421 -1.263 . . . . 0.77 111.507 179.691 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 tpp85 -61.46 -50.35 73.13 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 123.289 0.368 . . . . 3.59 110.852 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.08 -31.59 71.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.974 -0.557 . . . . 1.96 112.455 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.452 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 2.1 ttpt -63.9 -40.77 97.26 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.933 0.873 . . . . 1.91 110.139 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.512 ' CG1' HG23 ' B' ' 20' ' ' VAL . 98.0 t -72.54 -43.07 63.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.845 -1.071 . . . . 0.62 111.412 -178.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -64.0 -34.9 79.05 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.13 0.49 . . . . 1.68 110.231 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.45 -46.24 67.2 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.823 -0.626 . . . . 0.77 110.044 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.91 -30.19 57.86 Favored 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 123.54 0.525 . . . . 0.65 111.605 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 63.3 mtt -63.03 -22.53 66.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.921 0.763 . . . . 0.71 110.009 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.95 -46.95 8.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 O-C-N 123.461 0.475 . . . . 0.9 110.769 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -44.46 85.96 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.808 -0.812 . . . . 1.58 108.808 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.653 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -74.61 -19.51 60.28 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 114.848 -1.069 . . . . 1.14 113.296 -179.326 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.418 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.8 OUTLIER 64.59 41.9 5.15 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 107.098 -1.445 . . . . 1.24 107.098 -175.385 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.695 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -55.21 124.8 18.13 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 114.223 -1.353 . . . . 1.46 111.607 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.418 HG12 ' O ' ' B' ' 46' ' ' ASN . 17.6 mm -134.53 99.58 12.93 Favored Pre-proline 0 N--CA 1.439 -0.996 0 N-CA-C 103.645 -2.724 . . . . 1.34 103.645 176.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -31.49 127.84 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 124.744 3.629 . . . . 0.72 115.595 -175.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.425 HD22 " C5'" ' C' ' 12' ' ' ' DG' . 50.5 t-20 -71.0 78.2 0.65 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 114.953 -1.022 . . . . 0.85 110.061 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.581 ' O ' ' HG3' ' B' ' 55' ' ' GLN . 8.0 tpp180 -52.79 -16.71 1.06 Allowed 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 115.18 -0.918 . . . . 4.55 113.018 -177.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.462 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 68.9 m -67.86 -60.99 2.09 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 121.488 0.661 . . . . 0.73 109.732 178.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.429 ' HB3' " H4'" ' C' ' 12' ' ' ' DG' . . . -79.51 -25.67 41.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.259 -0.882 . . . . 0.64 111.126 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.55 ' HB2' ' HA ' ' B' ' 51' ' ' ARG . 3.6 mt-30 -61.78 -36.28 80.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.024 -0.534 . . . . 1.04 110.135 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.602 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 37.7 mt-30 -70.63 -50.83 32.78 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 107.881 -1.155 . . . . 2.45 107.881 178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' A' ' 53' ' ' ALA . 5.9 mp -52.53 -41.44 63.49 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.247 -0.888 . . . . 0.65 111.394 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.51 -6.73 54.61 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 113.865 1.061 . . . . 1.07 113.865 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 146.67 -49.85 0.62 Allowed Glycine 0 CA--C 1.506 -0.531 0 C-N-CA 119.197 -1.478 . . . . 1.6 113.906 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' B' ' 55' ' ' GLN . 7.0 tttm -78.64 81.65 4.94 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.506 0.67 . . . . 5.04 111.513 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.412 ' HA ' ' HG2' ' B' ' 55' ' ' GLN . 2.6 mt-30 -84.66 148.16 26.57 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 114.833 -1.076 . . . . 6.57 109.993 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -137.69 59.6 1.66 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.959 0.409 . . . . 6.55 110.72 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--O 1.248 0.999 0 CA-C-N 115.473 -0.785 . . . . 8.33 109.377 178.548 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . 0.53 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.233 0 C3'-C2'-C1' 99.121 -2.557 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.53 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.767 0 C3'-C2'-C1' 99.761 -2.099 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.567 0 O4'-C1'-C2' 103.791 -2.099 . . . . 1.55 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C5'-C4'-C3' 117.913 2.142 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.618 ' C2 ' ' C5 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C3'-C2'-C1' 99.279 -2.444 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.618 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 104.024 -1.887 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.585 ' H71' " C2'" ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.823 0 C3'-C2'-C1' 99.562 -2.241 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.097 0 C3'-C2'-C1' 99.224 -2.483 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.215 0 C3'-C2'-C1' 99.055 -2.604 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.421 ' C4 ' ' C5 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.746 0 C3'-C2'-C1' 98.642 -2.899 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.466 ' N4 ' ' O6 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 O4'-C1'-C2' 103.744 -2.142 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.698 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.5 -1.476 0 C3'-C2'-C1' 99.126 -2.553 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.725 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.495 -1.829 0 C3'-C2'-C1' 99.707 -2.138 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.462 ' OP2' HD22 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.421 -1.162 0 C5'-C4'-C3' 118.298 2.399 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.491 ' H73' ' CB ' ' B' ' 21' ' ' SER . . . . . . . . 0 P--O3' 1.596 -0.924 0 C3'-C2'-C1' 100.048 -1.894 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.053 0 C3'-C2'-C1' 100.146 -1.824 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.431 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.421 -1.217 0 O4'-C1'-C2' 104.094 -1.824 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.431 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 C3'-C2'-C1' 99.671 -2.164 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.475 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.504 -1.193 0 O4'-C1'-C2' 103.988 -1.92 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.688 0 C3'-C2'-C1' 99.634 -2.19 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.961 0 C3'-C2'-C1' 99.686 -2.153 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.411 ' C6 ' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.06 0 C3'-C2'-C1' 99.408 -2.352 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.411 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.825 0 C3'-C2'-C1' 99.666 -2.167 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . 0.406 " H1'" " H5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 100.803 -1.355 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.406 " H5'" " H1'" ' D' ' -1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O4'-C1'-C2' 107.096 0.905 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.606 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 107.341 1.128 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.606 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C3'-C2'-C1' 104.764 1.474 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.476 ' H71' ' CZ ' ' B' ' 22' ' ' ARG . . . . . . . . 0 O4'--C1' 1.408 -0.951 0 C3'-C2'-C1' 104.886 1.561 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.623 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 C5'-C4'-C3' 115.819 0.746 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.623 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-C2' 107.278 1.071 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.46 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 P--O3' 1.614 0.552 0 C4'-C3'-C2' 104.592 1.392 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.503 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O4'-C1'-C2' 107.713 1.466 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.503 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C5'-C4'-O4' 108.026 -0.859 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.494 H2'' H5'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.419 -1.34 0 N19-C1'-C2' 115.652 0.907 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.494 H5'' H2'' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 C3'-C2'-C1' 105.726 2.161 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.616 ' P ' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.506 -1.044 0 C3'-C2'-C1' 101.795 -0.646 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.618 " H5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 C2'--C1' 1.504 -1.196 0 C5'-C4'-C3' 117.173 1.649 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.481 ' H72' ' C6 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 C1'-O4'-C4' 111.219 1.085 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.51 ' H41' ' CD ' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C5'-C4'-C3' 117.308 1.739 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.481 " H5'" " H1'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.745 0 C2'-C3'-O3' 112.241 0.608 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.407 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 C5'-C4'-O4' 107.56 -1.15 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.445 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O4'-C1'-C2' 107.42 1.2 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.523 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.961 0 C5'-C4'-C3' 116.571 1.247 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.523 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 P--O3' 1.596 -0.922 0 C3'-C2'-C1' 104.764 1.474 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.503 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 0.964 0 C4'-C3'-C2' 104.454 1.254 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . 0.503 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.52 -0.756 0 O4'-C1'-C2' 107.167 0.97 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mpt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.539 0.209 . . . . 6.94 110.764 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.512 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 23.7 ttpt -175.6 -58.59 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.848 -0.615 . . . . 5.85 109.772 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.512 ' HD3' ' HB3' ' A' ' 2' ' ' LYS . 31.5 Cg_endo -94.34 148.05 1.91 Allowed 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 121.97 1.78 . . . . 1.9 111.249 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.667 HG11 ' HG ' ' A' ' 45' ' ' LEU . 19.4 t -51.57 162.38 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.304 -0.998 . . . . 0.99 108.304 176.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.8 p -126.92 171.32 11.39 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.587 0.708 . . . . 0.72 110.669 -174.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -61.99 -21.64 65.01 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.947 -1.024 . . . . 0.66 109.51 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -77.44 -35.3 54.11 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.231 -0.44 . . . . 0.68 110.965 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.602 ' HB2' HG13 ' A' ' 4' ' ' VAL . 4.4 m-20 -65.77 -43.27 89.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.444 -1.317 . . . . 1.86 107.444 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 5' ' ' THR . 21.6 t -61.87 -46.44 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 113.218 -1.81 . . . . 0.66 109.736 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -59.43 -35.64 74.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.082 -0.963 . . . . 0.65 111.016 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -71.71 -46.55 58.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.347 0.594 . . . . 2.41 110.234 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.721 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.3 t80 -64.43 -37.44 87.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 122.141 0.972 . . . . 1.68 110.457 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' O ' ' HD2' ' A' ' 37' ' ' LYS . . . -87.39 -15.19 38.53 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 114.519 -1.218 . . . . 0.71 110.681 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.85 48.0 57.45 Favored Glycine 0 N--CA 1.437 -1.24 0 N-CA-C 111.117 -0.793 . . . . 0.68 111.117 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 27.2 m -135.57 -170.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.149 0 CA-C-N 114.825 -0.688 . . . . 0.62 109.164 -178.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.42 ' OG ' " H2'" ' C' ' 5' ' ' ' DG' . 66.7 m -95.78 163.91 12.97 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.731 -1.211 . . . . 1.03 107.731 177.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.482 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.2 p90 -67.0 -35.17 79.35 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.26 -0.976 . . . . 1.38 109.792 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.566 ' HB3' ' H71' ' C' ' 6' ' ' ' DT' . 3.8 tp60 -63.27 -32.85 74.36 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.416 -0.586 . . . . 2.08 109.416 177.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.508 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 21.5 m -60.83 -46.59 89.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.259 0.552 . . . . 0.61 110.214 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.547 ' O ' HG23 ' A' ' 24' ' ' VAL . 25.3 t -56.81 -47.58 82.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.424 -0.807 . . . . 0.65 110.504 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 12.1 m -66.3 -21.78 66.27 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.211 -0.45 . . . . 1.22 110.594 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' A' ' 19' ' ' THR . 32.5 mmt180 -68.11 -37.55 81.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.871 -0.418 . . . . 2.65 109.871 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.411 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 59.6 t -86.99 -43.1 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 112.655 0.613 . . . . 0.92 112.655 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.7 t -61.98 -44.59 99.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.747 -0.66 . . . . 0.94 111.307 -178.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.542 ' HB2' ' O ' ' A' ' 21' ' ' SER . 5.1 m-80 -70.63 -40.28 73.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.329 -0.85 . . . . 1.24 113.138 -177.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -160.42 -59.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.928 0.714 . . . . 4.46 112.928 -177.24 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 26' ' ' GLN . . . 86.76 131.64 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 124.722 1.209 . . . . 2.66 109.764 -178.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.7 t -168.48 -88.29 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.121 -1.066 . . . . 2.08 108.121 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.512 ' HB3' ' H71' ' C' ' 3' ' ' ' DT' . 11.4 m170 -70.16 49.78 0.11 Allowed 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.256 1.022 . . . . 1.63 111.294 176.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.74 126.15 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 107.375 -1.342 . . . . 1.05 107.375 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.63 141.11 57.92 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.424 -0.51 . . . . 1.29 109.936 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.53 -36.52 45.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 1.09 111.009 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -51.52 -42.18 61.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.467 -0.788 . . . . 3.08 110.795 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -86.93 -45.84 10.44 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.025 -0.989 . . . . 0.98 112.627 -178.584 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -51.75 -45.38 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.573 0.583 . . . . 3.63 112.573 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -77.03 -17.69 58.64 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.906 -0.588 . . . . 1.72 111.09 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HD2' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -88.57 -28.77 20.5 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.68 -0.691 . . . . 1.44 110.448 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 34' ' ' THR . 98.4 t -78.42 -45.5 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-O 121.32 0.581 . . . . 0.68 109.534 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -64.0 -23.39 67.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.272 -0.877 . . . . 1.7 109.785 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.36 -33.44 42.93 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.354 -0.839 . . . . 0.78 109.889 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -65.83 -42.71 90.24 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.042 -0.981 . . . . 0.79 110.285 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.413 ' HE3' HG12 ' A' ' 38' ' ' VAL . 24.5 mtt -60.47 -23.33 64.38 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.77 0.669 . . . . 0.87 112.565 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.55 -30.48 29.66 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.911 -0.774 . . . . 0.93 108.911 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 28.1 mm-40 -69.08 -62.65 1.29 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.751 -1.113 . . . . 1.55 112.549 -178.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.754 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -80.61 -7.82 59.4 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.478 -0.783 . . . . 1.79 111.683 -179.347 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 67.12 68.89 0.39 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.518 0.675 . . . . 2.2 111.26 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.593 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.7 t80 -83.82 128.96 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.22 -0.9 . . . . 1.38 111.83 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.3 mp -111.53 109.41 55.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.959 -0.756 . . . . 1.39 108.959 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.39 117.84 4.71 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.322 2.015 . . . . 0.78 112.965 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -78.37 99.57 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.69 111.913 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -8.18 26.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 4.2 110.132 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -83.64 -35.04 24.9 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.64 -0.504 . . . . 0.7 109.64 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.714 ' HB3' " C5'" ' D' ' 13' ' ' ' DC' . . . -80.28 -30.87 38.36 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.216 0.532 . . . . 0.53 109.81 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.63 -41.07 98.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.685 -1.143 . . . . 1.67 108.387 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -68.62 -26.39 65.33 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.041 -0.981 . . . . 2.66 110.545 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.707 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 4.1 tp -73.89 -48.91 27.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.364 0.602 . . . . 0.61 110.322 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.72 -20.22 66.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.391 -0.822 . . . . 0.85 112.649 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -170.14 68.36 0.15 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.002 -1.094 . . . . 1.86 112.899 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.445 ' NZ ' ' HA ' ' A' ' 62' ' ' LEU . 20.6 tttm -59.35 101.35 0.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.206 0.527 . . . . 6.17 111.081 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -89.67 -16.94 29.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.503 -0.771 . . . . 6.76 110.115 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.8 p -157.43 175.26 14.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.391 -0.822 . . . . 7.52 110.027 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.445 ' HA ' ' NZ ' ' A' ' 59' ' ' LYS . 33.0 tp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.45 -0.786 . . . . 9.27 111.365 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 109.552 -0.536 . . . . 6.54 109.552 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -126.22 110.44 23.95 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.347 -0.388 . . . . 5.5 110.773 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.06 114.0 3.82 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 121.925 1.75 . . . . 1.75 112.031 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.713 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 6.2 t -109.68 177.37 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 114.642 -1.163 . . . . 0.83 108.477 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.759 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 10.9 p -137.14 158.75 43.75 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 118.987 -0.53 . . . . 0.68 110.235 -178.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.633 ' HG ' HG11 ' B' ' 20' ' ' VAL . 0.9 OUTLIER -53.94 -31.08 49.22 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 124.631 1.207 . . . . 0.66 110.438 177.557 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.609 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 15.2 m-85 -68.33 -40.01 81.73 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 123.495 0.497 . . . . 1.22 111.022 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.427 ' HB2' HG12 ' B' ' 4' ' ' VAL . 13.7 m-20 -62.95 -36.96 85.2 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.807 -0.812 . . . . 1.45 108.807 178.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.29 -44.4 97.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.243 -0.89 . . . . 0.55 109.514 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.472 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -55.9 -58.61 7.17 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.721 -0.672 . . . . 0.63 111.337 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.97 -41.06 82.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.777 0.658 . . . . 2.46 112.777 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -67.67 -49.39 63.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.956 0.408 . . . . 1.39 111.434 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -24.86 66.78 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 112.382 0.512 . . . . 0.69 112.382 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.0 46.42 5.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 119.981 -1.104 . . . . 1.09 111.572 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 29.3 m -142.54 169.76 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 109.042 -0.725 . . . . 0.62 109.042 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -72.51 158.07 36.41 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 108.129 -1.063 . . . . 1.31 108.129 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.487 ' CE1' ' H72' ' C' ' 14' ' ' ' DT' . 0.0 OUTLIER -61.88 -45.72 92.52 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 110.298 -0.26 . . . . 1.58 110.298 -178.758 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -56.08 -34.18 65.74 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.157 0.503 . . . . 0.89 110.87 176.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.6 m -55.43 -37.56 67.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.126 -0.943 . . . . 0.64 109.916 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.633 HG11 ' HG ' ' B' ' 6' ' ' LEU . 16.8 t -68.6 -50.09 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.114 -0.948 . . . . 1.17 110.437 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.553 ' CB ' ' H73' ' C' ' 14' ' ' ' DT' . 40.4 m -56.79 -45.19 82.33 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.165 -1.05 . . . . 1.13 108.165 177.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -48.92 -40.27 29.43 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 113.851 -1.522 . . . . 2.87 112.026 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.16 -43.8 43.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.425 0.631 . . . . 0.86 110.16 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 20' ' ' VAL . 50.7 t -57.29 -50.99 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.03 -0.986 . . . . 1.03 112.137 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -66.28 -79.47 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 122.126 0.965 . . . . 1.25 111.223 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -168.81 85.96 0.17 Allowed 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 113.933 -1.485 . . . . 3.75 109.448 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.81 141.69 26.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 2.36 110.843 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 29.1 t -137.33 -71.46 0.44 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.564 -0.902 . . . . 1.96 108.564 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -81.43 47.32 1.03 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.295 -0.866 . . . . 1.34 109.315 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -130.54 148.43 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 1.1 111.053 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.36 143.03 30.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.918 -0.583 . . . . 0.98 109.515 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.18 -45.02 68.35 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.316 0.385 . . . . 1.12 111.426 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' B' ' 34' ' ' THR . 7.3 ttpp -51.76 -56.85 11.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.964 -0.562 . . . . 3.25 110.816 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.459 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.4 OUTLIER -62.01 -35.72 79.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.898 -0.592 . . . . 0.77 112.002 -179.769 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -64.32 -48.34 75.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.8 -0.636 . . . . 3.59 111.161 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -72.04 -28.06 63.12 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.88 -0.6 . . . . 1.96 110.959 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -66.31 -41.24 89.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 1.91 110.561 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 34' ' ' THR . 99.7 t -65.63 -42.57 93.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.142 -0.481 . . . . 0.62 110.504 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 42' ' ' MET . 8.8 mt-10 -69.72 -32.18 70.6 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.534 -0.467 . . . . 1.68 110.946 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.8 -39.58 87.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.342 0.591 . . . . 0.77 109.604 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.412 ' O ' HD12 ' B' ' 45' ' ' LEU . . . -60.13 -30.95 69.63 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.651 -0.704 . . . . 0.65 110.179 178.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' B' ' 39' ' ' GLU . 45.2 mtt -63.14 -21.69 66.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.054 -0.975 . . . . 0.71 110.022 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.59 -47.63 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.744 -0.662 . . . . 0.9 110.639 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -50.66 -60.4 3.07 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.855 0.836 . . . . 1.58 112.252 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.5 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -80.4 -1.17 40.21 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 113.981 -1.463 . . . . 1.14 112.34 -177.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.09 47.43 11.92 Favored 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 109.599 -0.519 . . . . 1.24 109.599 -176.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.713 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.7 t80 -59.71 121.82 12.6 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 116.015 -0.539 . . . . 1.46 110.351 -178.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.5 mm -128.66 103.51 19.44 Favored Pre-proline 0 N--CA 1.438 -1.03 0 N-CA-C 103.695 -2.706 . . . . 1.34 103.695 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.439 ' HB3' ' CD ' ' B' ' 54' ' ' GLN . 0.5 OUTLIER -30.73 122.48 0.07 OUTLIER 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 124.871 3.714 . . . . 0.72 114.391 -177.453 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.446 HD22 " C5'" ' C' ' 12' ' ' ' DG' . 34.5 t-20 -56.49 91.66 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.364 -0.835 . . . . 0.85 110.962 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -49.43 -34.65 17.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.393 -0.821 . . . . 4.55 112.791 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 56.6 m -66.95 -62.93 1.19 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.187 0.518 . . . . 0.73 111.645 -178.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.39 67.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.592 -0.731 . . . . 0.64 112.475 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.439 ' CD ' ' HB3' ' B' ' 49' ' ' PRO . 5.7 mt-30 -64.48 -34.24 77.76 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.653 -0.419 . . . . 1.04 110.824 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -46.71 78.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.094 -1.076 . . . . 2.45 108.094 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 53' ' ' ALA . 4.8 mp -57.43 -50.81 71.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.191 -1.368 . . . . 0.65 111.102 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -5.39 35.91 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.369 -0.378 . . . . 1.07 111.605 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.46 18.05 75.05 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 121.151 -0.547 . . . . 1.6 112.72 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mttm 54.39 -111.91 0.66 Allowed 'General case' 0 C--N 1.333 -0.137 0 O-C-N 123.881 0.4 . . . . 5.04 110.52 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -101.57 109.65 21.49 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.434 -0.506 . . . . 6.57 110.467 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -66.29 -33.77 76.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.848 -0.615 . . . . 6.55 110.828 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 8.0 tp . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.439 -0.791 . . . . 8.33 110.158 178.777 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . 0.473 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.5 -1.487 0 C3'-C2'-C1' 99.513 -2.277 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.473 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.102 0 C3'-C2'-C1' 99.223 -2.484 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.477 ' C8 ' ' H71' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 C3'-C2'-C1' 98.627 -2.91 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.512 ' H71' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 C2'--C1' 1.509 -0.869 0 C3'-C2'-C1' 99.929 -1.979 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.501 ' H72' ' C6 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 C3'-C2'-C1' 99.467 -2.31 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.459 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.074 0 C3'-C2'-C1' 100.008 -1.923 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.566 ' H71' ' HB3' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-C2' 103.606 -2.267 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C3'-C2'-C1' 99.574 -2.233 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 C3'-C2'-C1' 99.579 -2.229 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C3'-C2'-C1' 99.228 -2.48 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.008 0 C5'-C4'-C3' 117.501 1.867 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.707 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.497 -1.729 0 C3'-C2'-C1' 98.501 -2.999 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.759 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.582 -2.045 0 C3'-C2'-C1' 99.76 -2.1 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.607 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 C5'-C4'-C3' 118.172 2.315 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.553 ' H73' ' CB ' ' B' ' 21' ' ' SER . . . . . . . . 0 C2'--C1' 1.512 -0.66 0 O4'-C1'-C2' 104.098 -1.82 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.502 -1.358 0 C3'-C2'-C1' 100.14 -1.829 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.169 0 C3'-C2'-C1' 100.156 -1.817 . . . . 0.86 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.502 -1.378 0 C3'-C2'-C1' 99.918 -1.987 . . . . 0.93 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.533 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.003 0 C3'-C2'-C1' 99.954 -1.961 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.411 ' C8 ' ' C7 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.725 0 C3'-C2'-C1' 99.732 -2.12 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.411 ' C7 ' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 O4'-C1'-C2' 103.829 -2.065 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.142 0 C3'-C2'-C1' 99.226 -2.481 . . . . 1.84 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.853 0 C3'-C2'-C1' 99.552 -2.249 . . . . 2.17 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . 0.448 " H1'" " H5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.98 0 C4'-C3'-C2' 102.59 -0.61 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.448 " H5'" " H1'" ' D' ' -1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.64 0 C4'-C3'-C2' 102.715 -0.485 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.596 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-C2' 107.513 1.285 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.596 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.738 0 O4'-C1'-C2' 107.19 0.991 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.542 ' H72' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-C1' 105.285 1.847 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.533 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 P--O3' 1.62 1.118 0 C5'-C4'-C3' 116.834 1.423 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.5 " H1'" " H5'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-C2' 107.334 1.122 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.5 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C3'-C2'-C1' 104.56 1.328 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.524 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C3'-C2'-C1' 104.416 1.226 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.524 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-N19 108.323 0.654 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.405 ' OP2' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 N19-C1'-C2' 115.667 0.917 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.402 ' O2 ' ' HB3' ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 102.318 -0.882 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.496 " H3'" ' HB ' ' A' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 C4'-C3'-C2' 101.794 -1.406 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.714 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.422 -1.107 0 C3'-C2'-C1' 104.754 1.467 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.462 H2'' ' OP2' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C1'-O4'-C4' 110.924 0.874 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.462 ' OP2' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 P--O3' 1.62 1.118 0 O4'-C1'-C2' 107.449 1.226 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.515 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C5'-C4'-C3' 116.303 1.069 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.515 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 P--O3' 1.62 1.057 0 OP2-P-O3' 111.134 0.886 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.479 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-C2' 107.011 0.828 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.479 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C5'-C4'-O4' 108.184 -0.76 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.463 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 104.061 0.861 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.501 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C1'-O4'-C4' 111.039 0.956 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . 0.501 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 C4'-C3'-C2' 102.457 -0.743 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.4 ttp . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 121.06 0.457 . . . . 6.94 110.45 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -139.19 118.69 9.26 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.249 -0.432 . . . . 5.85 110.46 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -76.05 111.69 3.33 Favored 'Trans proline' 0 N--CA 1.448 -1.148 0 C-N-CA 121.825 1.683 . . . . 1.9 108.845 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.675 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 69.0 t -116.75 176.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 115.501 -0.772 . . . . 0.99 109.827 -176.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 9' ' ' VAL . 26.8 p -133.25 164.53 26.87 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.078 -0.712 . . . . 0.72 109.078 -178.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.19 -16.62 62.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.091 0.472 . . . . 0.66 110.798 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -78.42 -39.58 38.4 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.639 -0.709 . . . . 0.68 110.331 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.22 -35.2 79.8 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.843 0.83 . . . . 1.86 109.511 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 5' ' ' THR . 24.0 t -67.02 -42.84 89.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 113.417 -1.72 . . . . 0.66 108.816 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -62.49 -41.41 98.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.326 -0.852 . . . . 0.65 110.933 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.87 -51.86 59.73 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.786 -0.643 . . . . 2.41 111.315 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 61.4 t80 -69.28 -24.1 63.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.46 -0.336 . . . . 1.68 111.286 -178.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -86.57 -25.69 24.87 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-O 121.304 0.573 . . . . 0.71 109.807 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.48 40.3 13.26 Favored Glycine 0 CA--C 1.503 -0.708 0 N-CA-C 110.042 -1.223 . . . . 0.68 110.042 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.4 m -133.22 -176.95 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 114.79 -0.705 . . . . 0.62 109.905 -177.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -91.05 154.43 19.41 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.435 -0.95 . . . . 1.03 108.435 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.454 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 17.7 p90 -55.66 -41.79 74.15 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.676 -0.81 . . . . 1.38 110.833 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -62.96 -24.62 67.97 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.322 -0.399 . . . . 2.08 110.981 177.218 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 23' ' ' VAL . 28.5 m -67.84 -40.66 83.7 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.455 -0.942 . . . . 0.61 108.455 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 24' ' ' VAL . 78.3 t -64.66 -54.05 34.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.546 -1.206 . . . . 0.65 110.99 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.6 t -60.34 -27.89 67.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.354 -0.839 . . . . 1.22 110.844 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 4.4 ttp180 -73.15 -27.53 61.71 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.242 -0.651 . . . . 2.65 109.242 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 19' ' ' THR . 53.1 t -82.39 -40.67 17.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.435 -0.802 . . . . 0.92 110.204 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 20' ' ' VAL . 12.3 t -66.65 -55.74 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.634 -0.712 . . . . 0.94 112.359 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.539 HD21 ' P ' ' D' ' 14' ' ' ' DT' . 27.4 m-20 -77.81 -26.08 49.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 113.874 1.064 . . . . 1.24 113.874 -176.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 33.3 mt-30 -137.34 -113.39 0.17 Allowed 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 119.806 -0.757 . . . . 4.46 111.233 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 156.73 -32.67 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 107.581 -1.266 . . . . 2.66 107.581 -177.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 p -69.33 152.8 44.55 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.353 -1.294 . . . . 2.08 108.085 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.582 ' HB3' ' C7 ' ' C' ' 4' ' ' ' DT' . 2.1 m-70 69.42 23.83 5.97 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.494 -0.928 . . . . 1.63 108.494 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.9 t -144.18 136.78 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 114.601 -1.182 . . . . 1.05 109.037 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.447 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 58.3 m -73.95 145.32 44.78 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.422 -1.263 . . . . 1.29 109.55 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.97 -39.25 71.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.435 -0.348 . . . . 1.09 110.503 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -57.57 -41.53 81.26 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.286 0.565 . . . . 3.08 110.772 179.526 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -75.45 -41.24 56.21 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.679 0.622 . . . . 0.98 112.679 -179.356 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -56.35 -48.64 76.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.117 0.414 . . . . 3.63 112.117 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 2.5 mt-10 -70.51 -30.61 67.42 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.807 -0.633 . . . . 1.72 111.965 -177.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 11.5 ptpt -79.4 -25.62 42.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.293 0.568 . . . . 1.44 110.369 -177.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.681 HG11 ' HA ' ' A' ' 20' ' ' VAL . 69.1 t -83.41 -40.69 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.465 -0.789 . . . . 0.68 109.358 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -65.38 -27.13 68.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.433 -0.803 . . . . 1.7 109.699 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.605 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.72 -38.47 62.29 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.718 -0.674 . . . . 0.78 110.385 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.12 91.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.937 -0.574 . . . . 0.79 110.817 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.491 ' HE3' HG12 ' A' ' 38' ' ' VAL . 30.7 mtt -61.26 -30.53 70.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.887 -0.597 . . . . 0.87 111.515 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.18 -35.91 30.82 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.668 0.746 . . . . 0.93 109.71 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 25.9 mm-40 -61.61 -59.34 5.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.52 -1.218 . . . . 1.55 111.523 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -82.1 -12.59 58.14 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.778 -1.556 . . . . 1.79 113.077 -178.421 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 68.47 63.54 0.34 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.485 0.659 . . . . 2.2 110.487 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.675 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.4 t80 -83.69 124.42 30.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.804 -0.635 . . . . 1.38 110.667 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.57 112.51 51.25 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.728 -0.471 . . . . 1.39 109.728 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -53.5 114.88 1.96 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.709 2.273 . . . . 0.78 111.951 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.577 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 35.3 m-20 -73.06 100.74 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.466 -0.788 . . . . 0.69 111.262 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.641 ' HD3' ' OE1' ' A' ' 54' ' ' GLN . 32.2 mmt180 -58.98 -31.67 68.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.908 -1.042 . . . . 4.2 112.139 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -40.82 66.44 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 109.736 -0.468 . . . . 0.7 109.736 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.563 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -63.87 -47.0 82.43 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.84 -0.8 . . . . 0.53 108.84 178.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.641 ' OE1' ' HD3' ' A' ' 51' ' ' ARG . 53.9 mt-30 -56.22 -47.86 77.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.27 -0.877 . . . . 1.67 109.938 177.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -61.05 -32.86 72.48 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.154 -0.475 . . . . 2.66 110.929 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.786 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 9.1 tp -72.25 -52.97 13.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.094 -0.503 . . . . 0.61 111.771 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.23 -17.54 60.31 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.617 0.599 . . . . 0.85 112.617 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.465 ' C ' ' HE3' ' A' ' 59' ' ' LYS . . . 170.08 -117.29 0.69 Allowed Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.239 -0.981 . . . . 1.86 113.079 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HE3' ' C ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -122.86 153.64 39.36 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.496 -0.414 . . . . 6.17 110.33 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.47 -34.44 78.28 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.245 0.461 . . . . 6.76 112.245 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 m 60.59 -83.77 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.416 0.686 . . . . 7.52 111.66 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.371 -0.823 . . . . 9.27 110.726 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.0 tpp . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.967 0.413 . . . . 6.54 111.07 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -97.64 113.33 63.36 Favored Pre-proline 0 N--CA 1.447 -0.611 0 CA-C-N 116.313 -0.403 . . . . 5.5 110.191 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -78.33 113.09 3.31 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 121.875 1.717 . . . . 1.75 110.372 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.666 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 86.6 t -114.93 163.62 12.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 CA-C-N 115.558 -0.746 . . . . 0.83 109.752 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.516 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 17.2 p -128.47 154.96 45.54 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.211 -0.662 . . . . 0.68 109.211 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.44 HD11 HG12 ' B' ' 20' ' ' VAL . 2.0 tt -54.08 -24.88 19.07 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 121.785 -0.572 . . . . 0.66 111.842 176.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.479 ' CE2' " H2'" ' C' ' 12' ' ' ' DG' . 41.0 m-85 -64.06 -35.63 81.38 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.05 -0.977 . . . . 1.22 110.387 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.55 -36.73 76.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.274 -0.876 . . . . 1.45 109.781 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.543 ' HA ' HD23 ' B' ' 45' ' ' LEU . 47.3 t -68.22 -48.38 73.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.395 -0.821 . . . . 0.55 110.622 -178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -52.65 62.86 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.548 0.69 . . . . 0.63 110.643 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.48 -55.21 34.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.624 -1.171 . . . . 2.46 111.343 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.566 ' CB ' HD21 ' B' ' 45' ' ' LEU . 39.6 t80 -55.05 -51.54 66.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.228 -0.896 . . . . 1.39 113.05 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.868 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -66.82 -21.1 66.04 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.518 0.562 . . . . 0.69 112.518 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.14 43.78 7.36 Favored Glycine 0 N--CA 1.437 -1.293 0 C-N-CA 120.581 -0.819 . . . . 1.09 111.615 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.412 ' HB ' HG21 ' B' ' 19' ' ' THR . 17.2 m -137.32 166.25 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.229 0 N-CA-C 108.191 -1.04 . . . . 0.62 108.191 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 63.9 m -78.98 166.37 22.43 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 119.674 -0.81 . . . . 1.31 110.647 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.47 ' CE1' ' CE1' ' B' ' 7' ' ' TYR . 19.8 t80 -52.65 -54.6 31.11 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.161 0.984 . . . . 1.58 111.186 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -57.41 -31.17 65.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.986 -1.006 . . . . 0.89 112.116 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.412 HG21 ' HB ' ' B' ' 15' ' ' VAL . 2.6 m -59.22 -46.36 88.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.189 0.995 . . . . 0.64 109.778 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.44 HG12 HD11 ' B' ' 6' ' ' LEU . 58.5 t -72.9 -48.84 43.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 113.847 -1.524 . . . . 1.17 110.606 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.493 ' CB ' ' H73' ' C' ' 14' ' ' ' DT' . 15.9 m -61.29 -18.67 59.66 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 113.345 0.869 . . . . 1.13 113.345 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -92.1 -20.36 21.35 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 121.049 1.75 . . . . 2.87 107.749 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 19' ' ' THR . 53.0 t -75.72 -38.65 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 N-CA-C 108.333 -0.988 . . . . 0.86 108.333 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.09 -27.93 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 CA-C-N 114.899 -1.046 . . . . 1.03 108.457 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -83.65 -16.2 45.99 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.991 -0.549 . . . . 1.25 110.237 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 67.81 32.81 5.11 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.483 -0.78 . . . . 3.75 109.973 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.94 173.42 12.18 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.753 -0.658 . . . . 2.36 111.438 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 3.9 p -95.72 -179.09 4.61 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.899 -0.591 . . . . 1.96 110.429 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.437 ' HA ' ' OP2' ' D' ' 3' ' ' ' DT' . 18.5 m170 69.33 43.29 1.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.224 0.609 . . . . 1.34 111.074 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.5 132.96 45.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.612 -0.722 . . . . 1.1 109.092 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.648 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 70.1 m -70.13 152.49 44.26 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.928 -0.578 . . . . 0.98 110.56 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.1 73.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 1.12 111.234 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -53.75 -54.16 42.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.17 0.509 . . . . 3.25 110.99 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.648 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.3 OUTLIER -54.0 -38.85 65.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.405 -0.816 . . . . 0.77 112.539 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -65.54 -48.76 71.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.118 0.485 . . . . 3.59 110.468 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.13 -32.25 72.4 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.908 -1.042 . . . . 1.96 111.657 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.868 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 12.5 tppt? -62.12 -40.28 95.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.749 -0.66 . . . . 1.91 110.241 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 34' ' ' THR . 59.7 t -73.03 -38.36 55.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.376 -0.829 . . . . 0.62 111.233 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -64.95 -33.91 77.16 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.425 0.631 . . . . 1.68 109.746 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.77 47.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.226 -0.897 . . . . 0.77 110.631 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.429 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -55.0 -29.32 57.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.041 -0.981 . . . . 0.65 113.248 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.505 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 58.4 mtt -65.0 -21.85 66.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.662 -0.699 . . . . 0.71 109.879 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.63 -49.71 7.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.351 -0.841 . . . . 0.9 110.712 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -53.26 60.33 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.644 0.735 . . . . 1.58 112.06 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.571 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -67.67 -19.43 65.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.315 -0.857 . . . . 1.14 111.386 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.544 ' O ' HG12 ' B' ' 48' ' ' ILE . 1.0 OUTLIER 65.84 43.54 3.08 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.047 -1.464 . . . . 1.24 107.047 -176.006 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.666 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.0 t80 -51.49 121.07 5.79 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 114.376 -1.284 . . . . 1.46 110.353 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.544 HG12 ' O ' ' B' ' 46' ' ' ASN . 34.1 mm -134.41 93.92 18.26 Favored Pre-proline 0 N--CA 1.435 -1.177 0 N-CA-C 103.864 -2.643 . . . . 1.34 103.864 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.413 ' HB3' ' CD ' ' B' ' 54' ' ' GLN . 1.0 OUTLIER -29.56 124.78 0.06 OUTLIER 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 124.842 3.695 . . . . 0.72 115.511 -176.512 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.47 HD22 " H5'" ' C' ' 12' ' ' ' DG' . 47.4 t-20 -59.41 85.01 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.565 -0.743 . . . . 0.85 109.683 178.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -53.42 -21.74 6.52 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.481 0.919 . . . . 4.55 113.481 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.72 -62.1 1.57 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.339 0.59 . . . . 0.73 109.979 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.15 84.69 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.588 -0.733 . . . . 0.64 110.439 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.413 ' CD ' ' HB3' ' B' ' 49' ' ' PRO . 6.8 mt-30 -63.46 -29.24 70.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.251 -0.886 . . . . 1.04 112.093 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -82.45 -21.26 35.7 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.921 -0.77 . . . . 2.45 108.921 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.49 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.7 tp -81.99 -40.48 22.09 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.263 -0.881 . . . . 0.65 109.785 178.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.55 -4.31 58.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.588 -0.278 . . . . 1.07 111.05 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.09 -11.47 35.88 Favored Glycine 0 C--N 1.335 0.505 0 CA-C-O 119.439 -0.645 . . . . 1.6 114.023 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 53.1 tttt 64.67 -83.5 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 117.387 0.594 . . . . 5.04 110.897 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -146.93 -65.48 0.28 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.252 0.549 . . . . 6.57 110.399 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 67.5 m -146.62 -42.27 0.19 Allowed 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.879 -0.6 . . . . 6.55 110.442 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.5 tp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.682 -0.675 . . . . 8.33 109.787 179.157 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.496 -1.765 0 C3'-C2'-C1' 99.305 -2.425 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.278 0 C3'-C2'-C1' 98.99 -2.65 . . . . 2.25 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.411 " C2'" ' H71' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.557 0 O4'-C1'-C2' 103.752 -2.135 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.424 " H1'" " H5'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 103.597 -2.275 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.582 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C3'-C2'-C1' 99.79 -2.079 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.61 " C2'" ' H71' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.923 0 O4'-C1'-C2' 103.85 -2.045 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.61 ' H71' " C2'" ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.858 0 C3'-C2'-C1' 99.492 -2.292 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . 0.483 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.846 0 C3'-C2'-C1' 99.377 -2.374 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.483 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.455 0.785 0 C3'-C2'-C1' 99.499 -2.287 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.412 -0.626 0 C3'-C2'-C1' 98.506 -2.995 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.589 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.452 0.574 0 O4'-C1'-C2' 103.683 -2.197 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.786 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.502 -1.339 0 C3'-C2'-C1' 99.561 -2.242 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.516 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.497 -1.686 0 O4'-C1'-C2' 104.035 -1.878 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.428 ' OP2' HD22 ' B' ' 6' ' ' LEU . . . . . . . . 0 P--O3' 1.591 -1.329 0 C5'-C4'-C3' 118.107 2.272 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.493 ' H73' ' CB ' ' B' ' 21' ' ' SER . . . . . . . . 0 P--O3' 1.598 -0.713 0 C5'-C4'-C3' 117.59 1.926 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.921 0 O4'-C1'-C2' 103.971 -1.935 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.511 -0.711 0 C3'-C2'-C1' 99.717 -2.13 . . . . 0.86 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.207 0 C3'-C2'-C1' 99.706 -2.138 . . . . 0.93 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.523 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.504 -1.189 0 C3'-C2'-C1' 99.553 -2.248 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.83 0 O4'-C1'-C2' 103.839 -2.055 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.448 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.513 -0.556 0 C3'-C2'-C1' 99.649 -2.179 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.448 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.179 0 C3'-C2'-C1' 99.252 -2.463 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.411 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 99.465 -2.311 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.253 0 C3'-C2'-C1' 100.491 -1.578 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.621 1.181 0 C5'-C4'-C3' 116.239 1.026 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.534 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 107.402 1.183 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.534 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-C2' 106.909 0.736 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.467 " O4'" " H1'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.409 -0.864 0 C1'-O4'-C4' 107.563 -1.526 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.523 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C5'-C4'-C3' 116.652 1.301 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.464 H2'' " H5'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 107.344 1.131 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.48 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.427 1.206 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.48 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C3'-C2'-C1' 104.182 1.058 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.453 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C5'-C4'-O4' 107.733 -1.042 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.453 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.62 1.081 0 C3'-C2'-C1' 100.896 -1.288 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.44 H5'' H2'' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 104.623 1.373 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.55 ' OP1' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C3'-C2'-C1' 101.721 -0.699 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.563 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.083 0 C4'-C3'-C2' 104.749 1.549 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.539 ' P ' HD21 ' A' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C5'-C4'-O4' 107.322 -1.299 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.467 ' H41' ' CD ' ' A' ' 18' ' ' GLN . . . . . . . . 0 P--O3' 1.619 0.99 0 O4'-C1'-C2' 107.792 1.538 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.44 " H5'" " H1'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.188 0 O4'-C1'-C2' 104.764 -1.214 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.519 0 C5'-C4'-C3' 116.182 0.988 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.478 ' C2 ' ' C2 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-C2' 107.21 1.009 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.479 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.897 0 C3'-C2'-C1' 101.475 -0.875 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.546 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 C5'-C4'-O4' 107.603 -1.123 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.546 " H5'" " H1'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.421 -1.195 0 C4'-C3'-C2' 101.635 -1.565 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . 0.472 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C5'-C4'-C3' 116.524 1.216 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ttt . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 120.835 0.35 . . . . 6.94 110.314 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.531 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 8.0 tmtm? -125.11 -52.16 0.03 OUTLIER Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.445 -0.343 . . . . 5.85 110.153 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.531 ' HD3' ' HB3' ' A' ' 2' ' ' LYS . 69.3 Cg_endo -91.54 163.97 3.52 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 121.618 1.545 . . . . 1.9 112.74 178.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 48.4 t -116.36 175.75 2.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 107.211 -1.403 . . . . 0.99 107.211 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.2 p -133.35 163.07 30.16 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.356 -0.609 . . . . 0.72 109.356 -178.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.469 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -67.76 -17.08 64.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.388 -0.597 . . . . 0.66 109.388 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -76.49 -38.65 54.95 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.799 -0.637 . . . . 0.68 109.746 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.91 -40.95 95.06 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 122.489 1.138 . . . . 1.86 108.099 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 5' ' ' THR . 18.2 t -66.88 -45.96 86.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 113.259 -1.791 . . . . 0.66 110.525 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.43 -32.9 71.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.227 -0.897 . . . . 0.65 110.106 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -75.89 -46.82 28.08 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.643 -0.708 . . . . 2.41 109.783 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.591 ' CD2' HD13 ' A' ' 45' ' ' LEU . 2.2 t80 -62.09 -33.32 74.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.463 -0.79 . . . . 1.68 110.997 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.16 -19.98 24.81 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.811 -1.086 . . . . 0.71 111.179 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.32 45.89 22.76 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.448 -1.061 . . . . 0.68 110.448 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -137.64 -167.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 123.354 0.661 . . . . 0.62 109.813 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -102.11 156.93 17.24 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.308 -0.627 . . . . 1.03 109.308 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.469 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.4 p90 -56.17 -43.55 78.46 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.122 -0.631 . . . . 1.38 110.882 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 11.7 tp60 -60.67 -26.87 67.41 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 110.344 -0.243 . . . . 2.08 110.344 176.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.2 m -65.6 -48.22 73.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.588 -0.893 . . . . 0.61 108.588 178.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.627 ' O ' HG23 ' A' ' 24' ' ' VAL . 69.7 t -59.83 -54.57 32.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.495 -1.23 . . . . 0.65 110.929 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.8 t -61.28 -23.32 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.767 0.318 . . . . 1.22 110.65 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 45.0 ttm-85 -79.78 -24.23 41.64 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.481 -0.563 . . . . 2.65 109.481 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 19' ' ' THR . 70.1 t -85.99 -37.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.177 0.513 . . . . 0.92 110.362 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 20' ' ' VAL . 36.9 t -71.08 -49.12 51.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.408 -0.815 . . . . 0.94 112.62 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -103.85 -42.09 5.7 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 116.014 1.857 . . . . 1.24 116.014 -175.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -130.83 64.76 1.56 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.766 -0.774 . . . . 4.46 112.741 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 116.93 7.44 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.721 0.772 . . . . 2.66 111.045 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 t -164.51 -95.13 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.064 -1.425 . . . . 2.08 109.719 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.508 ' HA ' ' OP2' ' C' ' 3' ' ' ' DT' . 3.6 m-70 -65.21 53.89 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.982 0.913 . . . . 1.63 112.047 177.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.426 HG11 HG22 ' A' ' 23' ' ' VAL . 76.9 t -137.96 120.3 18.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.812 -0.81 . . . . 1.05 108.812 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.0 m -54.5 135.23 46.06 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.417 -0.81 . . . . 1.29 110.902 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -53.77 -37.79 63.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.973 0.416 . . . . 1.09 111.269 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -57.66 -41.33 81.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.743 -0.662 . . . . 3.08 111.789 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -84.79 -40.43 17.22 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.392 -0.367 . . . . 0.98 110.808 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -52.57 -52.72 53.68 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 122.807 0.443 . . . . 3.63 111.898 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 21.5 mt-10 -72.6 -16.47 61.73 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.424 -0.807 . . . . 1.72 111.054 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -86.3 -29.4 23.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.258 0.551 . . . . 1.44 110.208 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' A' ' 20' ' ' VAL . 79.8 t -80.28 -39.54 19.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 109.358 -0.608 . . . . 0.68 109.358 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.6 -31.51 72.7 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.552 -0.749 . . . . 1.7 109.439 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -73.81 -34.74 64.73 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.167 -0.924 . . . . 0.78 109.69 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.676 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -61.75 -44.79 96.22 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.79 110.535 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.409 ' CE ' HG22 ' A' ' 24' ' ' VAL . 34.5 mtt -55.9 -32.63 63.92 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.683 -0.69 . . . . 0.87 112.209 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.97 -28.2 49.36 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.472 0.653 . . . . 0.93 110.56 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 24.4 mm-40 -68.79 -59.45 3.08 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.629 -1.169 . . . . 1.55 112.368 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.718 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.27 -0.73 57.76 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.898 -1.046 . . . . 1.79 112.018 -178.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' HD12 ' A' ' 48' ' ' ILE . 8.2 m120 63.12 66.58 0.72 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.238 0.542 . . . . 2.2 111.36 178.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.588 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.0 t80 -82.44 120.56 25.61 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.051 -0.522 . . . . 1.38 111.608 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 46' ' ' ASN . 3.9 mp -114.46 112.84 45.84 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 107.238 -1.393 . . . . 1.39 107.238 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.26 122.19 11.27 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.342 2.028 . . . . 0.78 112.577 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -67.91 101.12 1.05 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.846 -0.615 . . . . 0.69 111.509 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 27.0 mmt180 -63.69 -23.47 67.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.803 -0.635 . . . . 4.2 111.321 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -38.63 65.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.017 0.437 . . . . 0.7 110.153 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.621 ' HB3' " C5'" ' D' ' 13' ' ' ' DC' . . . -73.84 -32.2 63.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.53 -0.915 . . . . 0.53 108.53 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -64.37 -35.97 82.61 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.635 -1.166 . . . . 1.67 109.599 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 28.4 mt-30 -73.51 -22.17 60.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.529 . . . . 2.66 109.767 178.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.698 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 6.9 tp -80.7 -52.9 7.02 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.699 -0.682 . . . . 0.61 110.345 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.67 -14.58 62.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.448 -0.796 . . . . 0.85 109.657 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.38 -151.63 24.82 Favored Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 109.985 -1.246 . . . . 1.86 109.985 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp 50.07 35.9 10.94 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 117.913 0.857 . . . . 6.17 110.683 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -77.3 83.87 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.838 -0.619 . . . . 6.76 110.906 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 p -103.39 46.72 0.91 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.361 0.6 . . . . 7.52 110.008 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.319 -0.743 0 CA-C-O 118.62 -0.705 . . . . 9.27 110.006 -179.658 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 43.9 tpp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.918 0.39 . . . . 6.54 110.861 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -106.03 127.44 28.35 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.155 -0.93 . . . . 5.5 109.641 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -66.86 121.49 8.71 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.116 1.877 . . . . 1.75 111.128 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.715 HG21 ' O ' ' B' ' 45' ' ' LEU . 39.3 t -88.67 160.16 2.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.814 -0.63 . . . . 0.83 109.773 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.726 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 69.9 p -136.74 161.88 34.73 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 119.362 -0.351 . . . . 0.68 110.642 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.581 ' HG ' HG11 ' B' ' 20' ' ' VAL . 1.7 tt -49.51 -30.97 9.23 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 123.867 0.729 . . . . 0.66 111.463 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.569 ' CE2' " H2'" ' C' ' 12' ' ' ' DG' . 31.1 m-85 -69.2 -35.84 76.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.87 0.367 . . . . 1.22 110.482 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.75 -39.1 87.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.086 -0.709 . . . . 1.45 109.086 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.66 -43.89 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 115.364 -0.834 . . . . 0.55 110.463 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.677 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.8 -51.13 70.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.63 111.194 178.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -59.85 -43.88 94.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.168 -0.924 . . . . 2.46 112.813 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.95 -54.02 31.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.1 0.476 . . . . 1.39 112.227 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.731 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -64.01 -25.19 68.01 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.659 -0.7 . . . . 0.69 112.844 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.6 49.62 6.52 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.005 -1.093 . . . . 1.09 111.363 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.32 174.74 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 N-CA-C 108.45 -0.945 . . . . 0.62 108.45 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.0 p -74.72 153.92 38.63 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 107.459 -1.311 . . . . 1.31 107.459 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -16.08 63.79 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 121.147 -0.221 . . . . 1.58 110.964 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.535 ' HB2' ' H71' ' D' ' 6' ' ' ' DT' . 0.0 OUTLIER -85.0 -33.03 22.64 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.28 -1.008 . . . . 0.89 108.28 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 39.0 m -53.78 -34.7 59.89 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.73 -1.123 . . . . 0.64 110.783 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.677 HG21 ' HB2' ' B' ' 10' ' ' ALA . 2.8 t -66.28 -51.4 59.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.048 -0.978 . . . . 1.17 108.853 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.591 ' OG ' ' H73' ' C' ' 14' ' ' ' DT' . 58.3 m -57.06 -46.53 82.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.979 -0.749 . . . . 1.13 108.979 177.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' B' ' 18' ' ' GLN . 21.5 mtt-85 -49.99 -40.96 45.91 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.194 -0.912 . . . . 2.87 112.541 178.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.9 t -78.79 -31.51 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 120.993 0.425 . . . . 0.86 110.751 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.2 t -74.71 -28.95 22.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.274 0.559 . . . . 1.03 111.108 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.413 HD21 ' P ' ' C' ' 14' ' ' ' DT' . 16.7 m-80 -81.73 -85.02 0.11 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.78 0.8 . . . . 1.25 110.626 -179.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -153.38 90.79 1.44 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.364 -1.289 . . . . 3.75 110.369 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.59 128.13 34.54 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.193 -0.669 . . . . 2.36 109.193 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.8 m -153.69 -26.08 0.14 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.577 0.703 . . . . 1.96 109.867 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -120.84 31.45 6.4 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.19 -0.67 . . . . 1.34 109.19 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -122.91 139.29 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 115.13 -0.941 . . . . 1.1 110.013 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.54 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 62.0 m -66.9 153.98 42.16 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.623 -1.171 . . . . 0.98 110.845 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -48.01 78.2 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.141 -0.482 . . . . 1.12 110.635 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -56.78 -54.41 46.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.176 0.512 . . . . 3.25 111.692 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.54 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -56.61 -38.58 72.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.873 -1.058 . . . . 0.77 111.722 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -68.44 -43.23 77.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.322 0.582 . . . . 3.59 109.845 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.42 -31.3 72.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.242 -0.89 . . . . 1.96 111.841 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.731 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 17.0 tppt? -66.61 -44.28 82.5 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.908 -0.587 . . . . 1.91 111.561 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.585 ' O ' ' HG3' ' B' ' 42' ' ' MET . 48.5 t -71.1 -38.47 71.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.371 -0.377 . . . . 0.62 111.337 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -67.39 -37.27 82.86 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.63 -0.507 . . . . 1.68 109.63 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.22 -46.76 63.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.866 -0.606 . . . . 0.77 110.649 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.563 ' O ' HD12 ' B' ' 45' ' ' LEU . . . -53.57 -26.72 22.75 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.667 -0.697 . . . . 0.65 112.495 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 37.4 mtt -68.61 -19.64 64.45 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.053 -0.521 . . . . 0.71 109.953 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.53 -55.31 3.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.896 -0.593 . . . . 0.9 112.033 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.55 -53.29 48.25 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.65 0.738 . . . . 1.58 111.497 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.715 ' O ' HG21 ' B' ' 4' ' ' VAL . 2.1 mt -77.36 -7.68 56.47 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.149 -1.387 . . . . 1.14 113.573 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.447 ' O ' HG12 ' B' ' 48' ' ' ILE . 3.4 t30 57.38 49.09 13.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.422 -0.584 . . . . 1.24 109.422 -177.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.635 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.0 t80 -55.83 125.34 20.91 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.726 -0.67 . . . . 1.46 109.82 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.447 HG12 ' O ' ' B' ' 46' ' ' ASN . 20.1 mm -131.08 98.67 18.63 Favored Pre-proline 0 N--CA 1.441 -0.88 0 N-CA-C 104.184 -2.525 . . . . 1.34 104.184 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -35.37 123.88 0.23 Allowed 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.863 3.042 . . . . 0.72 115.491 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.667 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 39.3 t-20 -65.02 75.88 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.413 -0.812 . . . . 0.85 109.777 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -50.59 -19.3 0.87 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.414 0.894 . . . . 4.55 113.414 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -75.67 -60.73 2.18 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 120.485 -0.486 . . . . 0.73 111.004 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.87 -25.16 63.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.101 -0.5 . . . . 0.64 110.097 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.667 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 30.9 mt-30 -65.85 -36.74 84.3 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.792 -0.64 . . . . 1.04 111.079 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -76.17 -27.56 57.0 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.424 0.631 . . . . 2.45 109.617 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.506 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.0 OUTLIER -72.19 -45.24 61.16 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.286 -0.87 . . . . 0.65 109.18 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.441 ' HB2' ' H21' ' C' ' 12' ' ' ' DG' . . . -73.6 0.79 11.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.591 -0.731 . . . . 1.07 112.868 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.02 -83.04 0.33 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.674 -0.774 . . . . 1.6 111.87 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.95 128.7 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.468 -0.866 . . . . 5.04 111.874 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -72.75 107.11 5.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.76 -0.655 . . . . 6.57 110.193 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.83 -32.09 19.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.498 -0.319 . . . . 6.55 111.004 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.404 -0.807 . . . . 8.33 110.751 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.499 -1.607 0 C3'-C2'-C1' 99.216 -2.488 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.595 H2'' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.825 0 C3'-C2'-C1' 99.357 -2.388 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.595 ' C8 ' H2'' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 C3'-C2'-C1' 99.144 -2.54 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.581 ' H71' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 C3'-C2'-C1' 99.791 -2.078 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.465 ' H73' ' C5 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C3'-C2'-C1' 99.659 -2.172 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.519 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.976 0 C3'-C2'-C1' 99.971 -1.949 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.519 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.006 0 C3'-C2'-C1' 99.627 -2.195 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.172 0 C3'-C2'-C1' 99.345 -2.397 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.178 0 C3'-C2'-C1' 99.755 -2.103 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C3'-C2'-C1' 98.643 -2.898 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.522 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.454 0.729 0 O4'-C1'-C2' 103.661 -2.218 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.698 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.499 -1.567 0 C3'-C2'-C1' 99.068 -2.594 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.726 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.5 -1.499 0 C3'-C2'-C1' 99.721 -2.128 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.515 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C5'-C4'-C3' 118.172 2.315 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.591 ' H73' ' OG ' ' B' ' 21' ' ' SER . . . . . . . . 0 C2'--C1' 1.511 -0.692 0 C5'-C4'-C3' 117.694 1.996 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.819 0 O4'-C1'-C2' 104.032 -1.88 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.403 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.036 0 C3'-C2'-C1' 99.76 -2.1 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.403 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.092 0 C5'-C4'-C3' 117.819 2.079 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.029 0 C3'-C2'-C1' 99.793 -2.076 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.069 0 O4'-C1'-C2' 104.042 -1.871 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.511 -0.689 0 C3'-C2'-C1' 99.776 -2.089 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.409 ' C6 ' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.883 0 C3'-C2'-C1' 99.297 -2.431 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.409 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.935 0 C3'-C2'-C1' 99.361 -2.385 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.027 0 C3'-C2'-C1' 100.421 -1.628 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C4'-C3'-C2' 102.302 -0.898 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.508 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.516 1.288 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.508 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.342 1.129 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.527 0.908 0 C3'-C2'-C1' 105.379 1.913 . . . . 0.83 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.402 " H2'" ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.812 0 C4'-C3'-C2' 104.095 0.895 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.535 ' H71' ' HB2' ' B' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-C2' 107.317 1.106 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.43 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.775 0 O4'-C1'-C2' 107.465 1.241 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.566 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.536 0.807 0 C4'-C3'-C2' 104.678 1.478 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.566 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-N19 108.369 0.712 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.463 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C5'-C4'-C3' 116.613 1.275 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.517 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.794 0 C3'-C2'-C1' 106.686 2.847 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.517 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C3'-C2'-C1' 100.937 -1.259 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.621 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C3'-C2'-C1' 104.712 1.437 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.507 H2'' ' OP2' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C5'-C4'-O4' 107.935 -0.915 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.507 ' OP2' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 O4'-C1'-C2' 107.403 1.185 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.574 ' C2 ' ' C2 ' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C2'-C3'-O3' 113.811 1.189 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.574 ' C2 ' ' C2 ' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 104.054 0.967 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.403 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C4'-C3' 106.465 0.865 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.582 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C5'-C4'-C3' 116.164 0.976 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.582 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 C4'-C3'-C2' 104.064 0.864 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C1'-O4'-C4' 110.939 0.885 . . . . 1.8 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 N19-C1'-C2' 115.943 1.089 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ttt . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.643 0.259 . . . . 6.94 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -115.56 102.4 54.3 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.497 -0.32 . . . . 5.85 110.544 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.71 113.62 3.09 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.449 2.099 . . . . 1.9 111.292 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.555 HG12 ' H ' ' A' ' 5' ' ' THR . 5.6 t -111.87 173.71 2.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 115.025 -0.989 . . . . 0.99 108.983 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.555 ' H ' HG12 ' A' ' 4' ' ' VAL . 9.9 p -133.6 162.5 31.75 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.048 -0.723 . . . . 0.72 109.048 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -67.69 -14.82 63.27 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.223 -0.658 . . . . 0.66 109.223 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -76.36 -39.98 52.4 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.729 -0.669 . . . . 0.68 109.899 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.58 -38.49 90.31 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.123 -1.065 . . . . 1.86 108.123 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 5' ' ' THR . 34.2 t -67.38 -47.98 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 113.11 -1.859 . . . . 0.66 109.086 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.75 90.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.436 -0.802 . . . . 0.65 111.41 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.91 -46.61 71.08 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 120.802 0.334 . . . . 2.41 111.586 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.444 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 25.3 t80 -67.15 -27.45 67.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.096 0.474 . . . . 1.68 111.48 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.08 -19.39 24.4 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 121.161 0.505 . . . . 0.71 109.84 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.8 47.7 13.97 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.524 -1.03 . . . . 0.68 110.524 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.25 -171.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.862 -0.669 . . . . 0.62 109.855 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.1 m -100.25 154.83 18.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.459 -0.571 . . . . 1.03 109.459 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -54.35 -43.22 71.08 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.19 -0.604 . . . . 1.38 110.608 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -60.25 -29.8 69.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 110.025 -0.361 . . . . 2.08 110.025 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 23' ' ' VAL . 23.1 m -68.41 -44.82 74.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.425 -0.583 . . . . 0.61 109.425 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 24' ' ' VAL . 65.1 t -60.12 -51.14 76.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.978 -1.01 . . . . 0.65 110.17 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 t -60.52 -26.58 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 1.22 111.078 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mtm-85 -75.68 -26.81 57.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.923 -0.769 . . . . 2.65 108.923 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 19' ' ' THR . 95.9 t -84.12 -43.27 17.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.183 0.516 . . . . 0.92 109.976 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 20' ' ' VAL . 23.9 t -63.47 -47.87 89.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.376 -0.829 . . . . 0.94 113.145 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -106.49 -7.36 17.58 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.704 1.372 . . . . 1.24 114.704 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 25.3 mm-40 -135.44 -128.88 0.15 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.461 1.028 . . . . 4.46 110.013 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 167.06 -39.07 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.742 1.277 . . . . 2.66 111.222 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.2 t -71.05 156.53 39.51 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.945 -0.57 . . . . 2.08 110.727 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.549 ' HB3' ' C7 ' ' C' ' 4' ' ' ' DT' . 49.3 m170 65.52 23.12 11.83 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 121.867 0.842 . . . . 1.63 109.11 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 28' ' ' SER . 10.7 t -136.68 125.5 36.22 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 114.506 -1.224 . . . . 1.05 109.83 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.465 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 51.9 m -65.31 139.77 58.62 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.374 -0.83 . . . . 1.29 109.086 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.03 -43.58 77.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.123 -0.49 . . . . 1.09 111.637 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 11.1 mttp -57.11 -37.47 72.0 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.251 0.548 . . . . 3.08 110.893 -178.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.605 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -78.25 -44.14 26.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.572 -0.74 . . . . 0.98 111.473 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -53.62 -49.71 67.25 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.579 0.585 . . . . 3.63 112.579 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 27.4 mt-10 -68.86 -23.14 64.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.366 -0.379 . . . . 1.72 111.853 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 34' ' ' THR . 8.9 ptpt -86.6 -21.62 26.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.956 0.408 . . . . 1.44 110.889 -178.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG11 ' HA ' ' A' ' 20' ' ' VAL . 76.7 t -83.64 -40.12 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.536 -0.913 . . . . 0.68 108.536 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.06 -32.79 72.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.849 0.833 . . . . 1.7 109.404 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -69.79 -36.98 76.15 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.394 -1.275 . . . . 0.78 110.875 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.22 90.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.79 110.364 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.437 ' CE ' HG22 ' A' ' 24' ' ' VAL . 25.1 mtt -67.54 -24.2 65.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.046 -0.525 . . . . 0.87 111.561 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.56 33.25 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.798 0.809 . . . . 0.93 109.045 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 16.1 mm-40 -70.59 -58.98 3.11 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.308 -1.314 . . . . 1.55 111.479 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.413 ' O ' HG21 ' A' ' 4' ' ' VAL . 1.5 mt -81.64 -9.73 59.59 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.799 -1.546 . . . . 1.79 113.123 -176.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.51 ' O ' HD12 ' A' ' 48' ' ' ILE . 10.5 m120 64.04 57.09 1.33 Allowed 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.625 -0.509 . . . . 2.2 109.625 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.479 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.6 t80 -78.53 125.61 29.6 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.782 -0.644 . . . . 1.38 111.398 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 46' ' ' ASN . 3.5 mp -114.84 115.59 43.54 Favored Pre-proline 0 C--N 1.316 -0.883 0 N-CA-C 107.057 -1.46 . . . . 1.39 107.057 176.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.03 125.98 20.87 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.637 2.225 . . . . 0.78 111.509 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -73.36 96.58 2.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.771 0.32 . . . . 0.69 111.666 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -60.25 -18.16 46.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 4.2 110.924 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -77.79 -48.43 16.57 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.603 -0.518 . . . . 0.7 109.603 -179.553 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.834 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -70.1 -35.63 74.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.587 -0.894 . . . . 0.53 108.587 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -58.65 -34.92 71.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.774 -1.103 . . . . 1.67 110.12 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 52' ' ' CYS . 1.5 pt20 -80.42 -29.73 37.65 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.753 -0.462 . . . . 2.66 109.753 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.715 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 9.8 tp -65.54 -51.9 56.42 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.656 0.265 . . . . 0.61 110.945 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.4 -17.95 55.7 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.396 0.617 . . . . 0.85 110.303 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.8 103.13 0.07 OUTLIER Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.075 -0.966 . . . . 1.86 111.393 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' H ' ' HG2' ' A' ' 59' ' ' LYS . 16.6 pttp -59.94 -14.46 15.89 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.13 0.49 . . . . 6.17 111.386 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.5 ' HA ' ' NE2' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -153.45 46.19 0.65 Allowed 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.711 -0.848 . . . . 6.76 108.711 176.805 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 m 63.91 95.47 0.05 OUTLIER 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.596 -1.184 . . . . 7.52 110.648 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 C--O 1.248 0.988 0 CA-C-N 114.83 -1.077 . . . . 9.27 111.128 -179.336 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.9 mtm . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.72 0.295 . . . . 6.54 111.433 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -160.82 123.55 1.83 Allowed Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.079 -0.711 . . . . 5.5 109.079 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -62.82 116.99 3.89 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 121.521 1.481 . . . . 1.75 110.379 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.602 HG21 ' O ' ' B' ' 45' ' ' LEU . 85.1 t -81.65 161.97 3.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.825 -0.805 . . . . 0.83 108.825 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.7 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 15.1 p -135.36 163.71 29.4 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 121.199 -0.2 . . . . 0.68 111.182 -178.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.617 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.5 OUTLIER -53.3 -31.68 45.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.73 0.644 . . . . 0.66 110.207 175.718 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.586 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 17.2 m-85 -69.7 -34.66 74.22 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 116.424 -0.353 . . . . 1.22 111.296 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.32 -36.67 81.95 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 108.992 -0.744 . . . . 1.45 108.992 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.652 ' HA ' HD23 ' B' ' 45' ' ' LEU . 31.4 t -67.21 -46.19 84.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.511 -0.768 . . . . 0.55 111.172 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.554 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.1 -51.79 66.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.702 -0.681 . . . . 0.63 111.125 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.65 -41.04 80.64 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.273 -0.876 . . . . 2.46 112.283 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.444 ' HB2' HD21 ' B' ' 45' ' ' LEU . 27.2 t80 -72.55 -45.92 56.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.525 0.565 . . . . 1.39 112.525 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.558 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -69.48 -25.18 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.286 0.476 . . . . 0.69 112.286 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.43 45.82 6.75 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.035 -1.078 . . . . 1.09 111.702 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.76 171.08 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 N-CA-C 108.962 -0.755 . . . . 0.62 108.962 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' B' ' 19' ' ' THR . 69.8 m -75.54 153.75 37.25 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 119.605 -0.838 . . . . 1.31 109.071 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.443 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -56.99 -41.89 79.26 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 123.363 0.415 . . . . 1.58 110.863 -178.579 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.468 ' HG2' ' H71' ' C' ' 14' ' ' ' DT' . 0.0 OUTLIER -60.8 -29.23 69.33 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.666 0.27 . . . . 0.89 111.626 178.487 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.493 ' O ' HG23 ' B' ' 23' ' ' VAL . 95.5 m -62.07 -37.82 86.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.739 . . . . 0.64 109.037 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' B' ' 10' ' ' ALA . 4.4 t -67.55 -45.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.251 -0.886 . . . . 1.17 109.598 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 7.9 t -55.05 -51.62 65.74 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.434 -1.321 . . . . 1.13 107.434 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -50.62 -38.19 44.56 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.141 -1.39 . . . . 2.87 112.847 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 19' ' ' THR . 96.1 t -77.39 -39.95 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.497 -0.186 . . . . 0.86 110.497 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.4 -38.74 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 121.302 0.572 . . . . 1.03 110.504 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.13 -10.55 59.85 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.908 -0.587 . . . . 1.25 111.033 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 58.47 39.02 25.49 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.687 0.756 . . . . 3.75 109.403 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.77 171.69 14.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.002 -1.454 . . . . 2.36 112.027 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.8 t -86.29 179.26 6.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.492 -0.776 . . . . 1.96 110.546 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 38.0 m170 66.38 28.59 9.66 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.464 -0.789 . . . . 1.34 110.64 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -121.56 121.39 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 115.704 -0.68 . . . . 1.1 110.619 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 68.0 m -70.68 152.79 43.47 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 116.366 -0.379 . . . . 0.98 110.147 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.21 -51.29 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 1.12 111.916 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -52.16 -59.3 4.54 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.339 0.399 . . . . 3.25 111.138 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.446 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -54.89 -37.53 66.41 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.757 -0.656 . . . . 0.77 111.352 179.322 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' B' ' 35' ' ' ARG . 18.5 ttm-85 -65.45 -52.33 53.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.532 0.682 . . . . 3.59 111.126 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.58 -26.39 63.5 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.277 -0.874 . . . . 1.96 112.099 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.558 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 3.1 tppt? -67.26 -46.33 74.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.572 -0.529 . . . . 1.91 109.572 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' B' ' 42' ' ' MET . 92.3 t -65.9 -37.5 80.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.522 -0.763 . . . . 0.62 111.163 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -69.02 -31.63 70.57 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.018 0.437 . . . . 1.68 110.015 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.16 -49.11 65.91 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.158 0.504 . . . . 0.77 109.82 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.73 -29.83 41.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.958 -1.019 . . . . 0.65 111.24 178.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 67.3 mtt -61.38 -23.81 66.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.494 . . . . 0.71 110.695 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.68 -52.28 5.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 0.9 111.41 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.75 -39.62 81.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.716 0.77 . . . . 1.58 110.776 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.652 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.0 OUTLIER -80.71 -18.52 47.58 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.925 -1.034 . . . . 1.14 112.18 -179.443 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 62.77 39.0 11.33 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.081 -1.452 . . . . 1.24 107.081 -176.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.585 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.9 t80 -56.99 124.48 18.84 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 114.672 -1.149 . . . . 1.46 110.755 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 91.4 mt -133.52 102.04 12.9 Favored Pre-proline 0 N--CA 1.434 -1.23 0 N-CA-C 103.358 -2.831 . . . . 1.34 103.358 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.473 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.6 OUTLIER -28.96 123.36 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 124.734 3.623 . . . . 0.72 115.573 -175.231 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.495 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 54.6 t-20 -62.5 77.8 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 114.617 -1.174 . . . . 0.85 110.683 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -50.39 -27.53 6.51 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.62 -0.718 . . . . 4.55 112.827 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.39 -62.75 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 0.73 110.785 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.91 78.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.371 -0.831 . . . . 0.64 110.889 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.501 ' HG2' " C5'" ' C' ' 13' ' ' ' DA' . 33.4 mt-30 -62.21 -28.8 69.94 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.819 -0.628 . . . . 1.04 112.042 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.708 ' HA ' ' HA ' ' B' ' 59' ' ' LYS . 46.9 mt-30 -83.09 -27.46 30.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.616 -0.513 . . . . 2.45 109.616 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.834 HD11 ' HB2' ' A' ' 53' ' ' ALA . 4.4 mp -70.53 -42.77 70.78 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.891 -1.05 . . . . 0.65 109.688 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.426 ' CB ' ' H21' ' C' ' 12' ' ' ' DG' . . . -73.86 4.8 4.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.828 -1.078 . . . . 1.07 113.5 -177.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' B' ' 59' ' ' LYS . . . 131.87 20.75 1.04 Allowed Glycine 0 CA--C 1.521 0.453 0 C-N-CA 119.524 -1.322 . . . . 1.6 114.624 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.708 ' HA ' ' HA ' ' B' ' 55' ' ' GLN . 12.3 mptt 72.96 -95.78 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 117.149 0.474 . . . . 5.04 112.105 178.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.495 ' HB3' ' HG ' ' B' ' 62' ' ' LEU . 11.3 mm-40 -148.61 141.73 24.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.593 -0.276 . . . . 6.57 110.95 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.46 50.26 1.74 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.981 -0.554 . . . . 6.55 110.104 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.495 ' HG ' ' HB3' ' B' ' 60' ' ' GLN . 40.5 mt . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.502 -0.761 . . . . 8.33 110.56 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . 0.48 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.267 0 C3'-C2'-C1' 99.923 -1.984 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.48 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.826 0 C3'-C2'-C1' 99.768 -2.094 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.443 ' C8 ' " H1'" ' C' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.533 0 O4'-C1'-C2' 103.55 -2.318 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.713 ' C5 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 103.769 -2.119 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.713 ' H72' ' C5 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.854 0 C3'-C2'-C1' 99.073 -2.591 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.5 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.503 -1.312 0 C3'-C2'-C1' 99.772 -2.091 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.43 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 O4'-C1'-C2' 103.931 -1.972 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . 0.415 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.075 0 C3'-C2'-C1' 99.279 -2.443 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.415 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-C1' 99.501 -2.285 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C3'-C2'-C1' 99.175 -2.518 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.852 0 O4'-C1'-C2' 103.893 -2.006 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.715 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.42 -1.257 0 C3'-C2'-C1' 98.69 -2.865 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.7 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.584 -1.891 0 O4'-C1'-C2' 103.598 -2.274 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.617 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 P--OP1 1.495 0.6 0 C3'-C2'-C1' 99.513 -2.277 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.468 ' H71' ' HG2' ' B' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.51 -0.811 0 C5'-C4'-C3' 117.549 1.9 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.935 0 C3'-C2'-C1' 100.11 -1.85 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.431 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.068 0 C3'-C2'-C1' 99.987 -1.938 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.431 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.226 0 C3'-C2'-C1' 99.66 -2.172 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.475 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.907 0 O4'-C1'-C2' 103.981 -1.927 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.454 0.737 0 O4'-C1'-C2' 103.74 -2.145 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.067 0 C3'-C2'-C1' 99.796 -2.075 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.434 ' C6 ' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 C3'-C2'-C1' 99.398 -2.358 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.434 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.11 0 C3'-C2'-C1' 99.033 -2.619 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.95 0 C3'-C2'-C1' 100.361 -1.671 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C5'-C4'-C3' 116.688 1.325 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.556 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.534 0.962 0 O4'-C4'-C3' 104.168 -1.432 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.556 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C1'-O4'-C4' 110.772 0.766 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.475 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.526 0.824 0 C3'-C2'-C1' 105.421 1.943 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.6 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 C5'-C4'-C3' 116.1 0.934 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.6 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 C4'-C3'-C2' 104.108 0.908 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.485 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C3'-C2'-C1' 104.577 1.341 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.485 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-C2' 107.287 1.079 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.47 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C5'-C4'-O4' 107.899 -0.938 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.449 ' C6 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.622 1.22 0 C4'-C3'-C2' 101.599 -1.601 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.435 H2'' ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.042 0 O4'-C1'-C2' 107.526 1.297 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.435 ' C8 ' H2'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.621 0 C3'-C2'-C1' 101.146 -1.11 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.686 " H5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.037 0 O4'-C4'-C3' 106.893 1.293 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.53 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-C1' 104.183 1.06 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.53 ' C6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 107.509 1.281 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.466 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 O4'-C1'-C2' 106.971 0.792 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.466 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 O4'-C4'-C3' 106.399 0.799 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.45 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.072 0 C5'-C4'-C3' 115.953 0.835 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.463 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.568 0 OP2-P-O3' 110.708 0.752 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.463 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C4'-C3'-C2' 102.203 -0.997 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.418 " H5'" " H1'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C5'-C4'-C3' 116.388 1.125 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C5'-C4'-O4' 107.474 -1.204 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 110.105 -0.331 . . . . 6.94 110.105 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.476 ' HE3' ' O ' ' A' ' 3' ' ' PRO . 33.2 tptt -99.41 106.88 42.09 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 110.148 -0.316 . . . . 5.85 110.148 178.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.476 ' O ' ' HE3' ' A' ' 2' ' ' LYS . 38.3 Cg_endo -70.1 138.98 37.96 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 121.609 1.539 . . . . 1.9 110.439 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.635 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 26.1 t -100.35 168.9 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 107.271 -1.381 . . . . 0.99 107.271 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 9' ' ' VAL . 11.0 p -135.09 165.17 25.99 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.344 -0.543 . . . . 0.72 109.765 -178.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.434 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.7 pt? -63.32 -17.1 62.18 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.617 -0.72 . . . . 0.66 110.768 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -78.33 -38.53 41.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.568 -0.742 . . . . 0.68 110.397 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -65.37 -34.83 79.23 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 122.099 0.952 . . . . 1.86 108.66 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 5' ' ' THR . 38.2 t -68.32 -44.44 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.798 -1.546 . . . . 0.66 109.779 178.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -64.04 -40.14 95.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.27 -0.877 . . . . 0.65 110.699 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.94 -51.9 54.5 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.969 -0.293 . . . . 2.41 110.712 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.503 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 27.0 t80 -65.04 -24.77 67.57 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.205 0.446 . . . . 1.68 112.205 -177.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.419 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -94.76 -15.66 23.66 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 120.761 -0.376 . . . . 0.71 111.057 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.76 35.65 31.18 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.798 -0.921 . . . . 0.68 110.798 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 35.0 m -131.94 -172.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 114.867 -0.666 . . . . 0.62 110.779 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.404 ' HG ' ' P ' ' C' ' 5' ' ' ' DG' . 70.3 m -102.5 152.59 20.96 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.393 -0.821 . . . . 1.03 109.547 178.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.434 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 34.7 p90 -53.56 -39.57 64.88 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.363 -0.535 . . . . 1.38 110.671 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.85 -34.04 71.12 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.973 0.416 . . . . 2.08 110.194 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -67.96 -43.68 78.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.89 -0.595 . . . . 0.61 109.553 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 24' ' ' VAL . 68.5 t -58.63 -51.05 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.096 -0.956 . . . . 0.65 110.926 177.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 m -64.78 -27.32 68.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.128 -0.487 . . . . 1.22 110.863 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HD3' ' OE1' ' A' ' 26' ' ' GLN . 0.7 OUTLIER -68.35 -33.19 73.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.747 -0.835 . . . . 2.65 108.747 179.077 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.5 t -82.72 -43.92 18.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.508 -0.769 . . . . 0.92 110.684 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 20' ' ' VAL . 61.2 t -63.31 -44.13 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 115.557 -0.747 . . . . 0.94 111.874 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -96.47 -25.21 15.76 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.909 1.078 . . . . 1.24 113.909 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.505 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 6.2 mt-30 -129.38 -120.48 0.23 Allowed 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.853 -0.425 . . . . 4.46 109.853 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 156.95 -33.43 0.0 OUTLIER 'General case' 0 C--O 1.234 0.25 0 O-C-N 125.104 1.502 . . . . 2.66 109.04 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 4.5 t -68.38 147.84 51.53 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.841 -1.072 . . . . 2.08 109.161 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.481 ' CG ' ' H72' ' C' ' 3' ' ' ' DT' . 9.3 m-70 71.79 18.65 5.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.533 0.521 . . . . 1.63 110.677 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.0 t -131.06 130.76 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 109.267 -0.642 . . . . 1.05 109.267 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.5 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 5.4 m -53.56 135.79 39.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.638 0.732 . . . . 1.29 110.574 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.06 -6.67 23.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.292 -0.867 . . . . 1.09 111.256 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -93.65 -47.3 6.87 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 107.683 -1.228 . . . . 3.08 107.683 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -70.37 -33.9 71.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.82 -1.082 . . . . 0.98 111.973 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -52.42 -49.21 64.99 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.286 0.565 . . . . 3.63 111.275 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -18.35 60.84 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.518 -0.764 . . . . 1.72 111.676 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -84.08 -29.23 26.98 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.429 -0.582 . . . . 1.44 109.429 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 34' ' ' THR . 88.8 t -77.62 -42.78 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 N-CA-C 108.496 -0.927 . . . . 0.68 108.496 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.72 -30.9 71.77 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.356 -0.979 . . . . 1.7 108.356 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -70.96 -38.73 72.82 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.989 -1.005 . . . . 0.78 109.954 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.56 -36.27 83.24 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.812 -0.631 . . . . 0.79 110.124 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.497 ' SD ' ' HD2' ' A' ' 47' ' ' TYR . 28.5 mtm -67.31 -23.81 65.68 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.596 -0.729 . . . . 0.87 112.226 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.5 -34.04 21.67 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.601 0.715 . . . . 0.93 109.183 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 52.3 mm-40 -65.54 -56.21 13.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.608 -1.178 . . . . 1.55 111.266 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.495 ' O ' HG21 ' A' ' 4' ' ' VAL . 1.2 mt -81.93 -13.37 57.6 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 113.515 -1.675 . . . . 1.79 112.607 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.424 ' O ' HD13 ' A' ' 48' ' ' ILE . 24.1 m120 67.14 55.03 0.71 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.239 0.542 . . . . 2.2 109.819 -179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.635 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.8 t80 -70.68 124.59 24.63 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.738 -0.664 . . . . 1.38 110.577 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -110.28 117.47 51.34 Favored Pre-proline 0 N--CA 1.444 -0.761 0 N-CA-C 109.583 -0.525 . . . . 1.39 109.583 177.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.65 119.47 6.67 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.488 2.125 . . . . 0.78 111.745 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -80.73 101.39 9.27 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.369 0.604 . . . . 0.69 111.624 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -41.54 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.846 -1.07 . . . . 4.2 111.313 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -41.84 98.65 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 110.096 -0.335 . . . . 0.7 110.096 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.475 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -64.59 -48.99 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.582 -0.736 . . . . 0.53 110.077 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.437 ' HG2' " O3'" ' D' ' 13' ' ' ' DC' . 77.7 mt-30 -58.4 -34.69 71.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.539 -0.755 . . . . 1.67 110.773 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -78.08 -27.92 48.66 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.282 -0.417 . . . . 2.66 109.903 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.703 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 9.9 tp -74.35 -53.58 9.37 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.12 0.486 . . . . 0.61 110.349 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.484 ' HB1' ' N2 ' ' C' ' 9' ' ' ' DG' . . . -72.32 -15.12 61.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.295 0.85 . . . . 0.85 113.295 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.55 -121.99 0.61 Allowed Glycine 0 N--CA 1.44 -1.051 0 C-N-CA 119.802 -1.19 . . . . 1.86 112.705 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.84 137.16 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.265 0.626 . . . . 6.17 110.233 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -122.21 35.18 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.013 0.435 . . . . 6.76 110.136 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 m 61.01 34.15 19.44 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.19 -0.914 . . . . 7.52 110.978 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 C--O 1.247 0.945 0 CA-C-O 117.842 -1.075 . . . . 9.27 110.437 179.92 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 45.3 mtp . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 121.061 0.457 . . . . 6.54 110.268 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -125.06 122.66 25.41 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 116.079 -0.509 . . . . 5.5 109.825 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.0 121.8 10.72 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.414 2.076 . . . . 1.75 111.35 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.672 HG21 ' O ' ' B' ' 45' ' ' LEU . 61.4 t -87.39 164.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.421 -0.808 . . . . 0.83 110.929 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.719 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 18.9 p -133.61 160.42 37.54 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.475 -0.784 . . . . 0.68 109.74 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.496 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 1.7 tt -55.51 -26.09 40.87 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.279 0.561 . . . . 0.66 110.732 177.002 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.571 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 25.8 m-85 -69.24 -36.02 76.75 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.486 -0.779 . . . . 1.22 110.715 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -68.2 -34.88 77.08 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.785 -0.82 . . . . 1.45 108.785 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.501 ' HA ' HD23 ' B' ' 45' ' ' LEU . 60.0 t -68.26 -44.45 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 114.291 -1.322 . . . . 0.55 109.768 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.652 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.44 -48.98 75.88 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.716 -0.675 . . . . 0.63 111.164 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.96 -49.64 75.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.833 -1.076 . . . . 2.46 112.539 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.506 ' CB ' HD21 ' B' ' 45' ' ' LEU . 48.8 t80 -63.53 -46.62 85.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.01 0.374 . . . . 1.39 112.01 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.64 -23.08 64.39 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.938 0.347 . . . . 0.69 111.938 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.2 45.2 10.33 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 119.866 -1.159 . . . . 1.09 111.698 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.1 m -135.71 171.61 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 N-CA-C 107.81 -1.181 . . . . 0.62 107.81 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.421 ' OG ' " H2'" ' D' ' 5' ' ' ' DG' . 36.5 m -75.18 152.41 38.42 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.112 -0.699 . . . . 1.31 109.112 177.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -41.93 79.19 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.09 -0.337 . . . . 1.58 110.09 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -56.13 -35.51 67.2 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.051 0.453 . . . . 0.89 110.575 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.9 m -59.01 -39.43 81.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.337 -0.847 . . . . 0.64 110.343 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.652 HG21 ' HB2' ' B' ' 10' ' ' ALA . 3.4 t -67.75 -44.41 85.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.329 -0.85 . . . . 1.17 110.754 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 23.8 m -58.13 -44.38 87.76 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 107.326 -1.361 . . . . 1.13 107.326 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -55.0 -40.02 69.68 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 113.975 -1.466 . . . . 2.87 112.2 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.531 HG13 ' HG3' ' B' ' 35' ' ' ARG . 86.4 t -79.96 -35.37 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.297 0.57 . . . . 0.86 110.117 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.21 -29.39 45.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.524 -0.762 . . . . 1.03 110.409 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -99.19 -7.48 26.46 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.387 -0.824 . . . . 1.25 110.554 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 54.48 48.6 20.17 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.684 0.754 . . . . 3.75 108.982 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.63 -178.23 5.76 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.593 -1.185 . . . . 2.36 112.729 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 29.8 p -85.03 179.22 7.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 114.962 -1.017 . . . . 1.96 110.192 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' B' ' 28' ' ' SER . 54.4 m170 69.1 21.67 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.57 0.544 . . . . 1.34 111.386 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.3 t -124.65 132.17 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.86 0.362 . . . . 1.1 110.193 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.408 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 62.4 m -72.69 153.05 41.37 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.071 -0.513 . . . . 0.98 109.784 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.62 55.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.393 0.516 . . . . 1.12 112.393 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 32.9 ttmt -57.34 -58.25 9.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.571 -0.74 . . . . 3.25 111.422 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.558 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -52.45 -33.89 46.27 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.85 0.357 . . . . 0.77 111.493 179.581 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.531 ' HG3' HG13 ' B' ' 23' ' ' VAL . 16.9 ttp180 -71.99 -46.13 58.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.57 0.7 . . . . 3.59 109.608 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.15 -35.58 79.21 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.055 -0.975 . . . . 1.96 111.694 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 52.8 mtpt -63.72 -41.93 98.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.828 0.347 . . . . 1.91 110.577 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 34' ' ' THR . 58.9 t -64.91 -39.64 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.381 -0.372 . . . . 0.62 111.575 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -66.62 -34.4 77.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.978 0.418 . . . . 1.68 110.056 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -47.03 72.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.121 -0.49 . . . . 0.77 110.482 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.436 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -55.03 -27.99 48.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.451 -0.795 . . . . 0.65 111.339 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 55.1 mtt -61.85 -20.91 64.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.901 -0.591 . . . . 0.71 109.872 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.75 -48.79 6.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.799 -0.637 . . . . 0.9 111.571 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -53.7 -52.82 58.84 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 122.135 0.969 . . . . 1.58 111.069 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.672 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -74.17 -17.47 60.91 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.198 -1.365 . . . . 1.14 111.56 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.521 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.5 OUTLIER 63.78 47.14 3.7 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.283 -1.377 . . . . 1.24 107.283 -174.607 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.642 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.5 t80 -52.69 119.35 4.46 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.158 -0.928 . . . . 1.46 111.422 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.521 HG12 ' O ' ' B' ' 46' ' ' ASN . 22.4 mm -129.18 103.54 18.32 Favored Pre-proline 0 N--CA 1.442 -0.874 0 N-CA-C 104.074 -2.565 . . . . 1.34 104.074 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -36.45 127.03 0.42 Allowed 'Trans proline' 0 N--CA 1.476 0.47 0 C-N-CA 123.736 2.957 . . . . 0.72 114.859 -176.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.471 HD22 " H5'" ' C' ' 12' ' ' ' DG' . 50.6 t-20 -63.63 85.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.028 -0.987 . . . . 0.85 110.772 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.441 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 16.3 mmt85 -47.89 -29.35 3.24 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.034 1.124 . . . . 4.55 114.034 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 2.6 m -74.24 -55.77 5.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.278 -0.569 . . . . 0.73 110.683 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.17 74.34 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.653 -0.703 . . . . 0.64 110.394 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -66.76 -34.0 76.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.801 -0.636 . . . . 1.04 111.189 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -75.68 -24.82 56.32 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.093 -1.077 . . . . 2.45 108.093 -179.396 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.644 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 3.3 tp -82.77 -43.13 17.11 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.428 -1.26 . . . . 0.65 110.534 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.88 -8.4 58.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.34 0.496 . . . . 1.07 112.34 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 170.11 -87.13 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.389 -0.91 . . . . 1.6 112.87 -177.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -130.47 155.05 47.1 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 117.092 0.446 . . . . 5.04 111.326 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -47.25 -39.4 14.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.091 0.774 . . . . 6.57 113.091 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 19.4 m -144.31 118.95 9.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.106 0.479 . . . . 6.55 110.61 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.325 -0.845 . . . . 8.33 110.324 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . 0.461 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.309 0 C3'-C2'-C1' 99.054 -2.605 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.461 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 C3'-C2'-C1' 99.603 -2.212 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.468 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.989 0 O4'-C1'-C2' 103.761 -2.126 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.481 ' H72' ' CG ' ' A' ' 29' ' ' HIS . . . . . . . . 0 C2'--C1' 1.507 -0.981 0 O4'-C1'-C2' 103.784 -2.105 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.474 " H5'" " H1'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 99.788 -2.08 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.422 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.001 0 C3'-C2'-C1' 99.876 -2.017 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.422 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.824 0 C3'-C2'-C1' 99.486 -2.295 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.849 0 C3'-C2'-C1' 99.843 -2.041 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.139 0 C3'-C2'-C1' 99.837 -2.045 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.484 ' N2 ' ' HB1' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C3'-C2'-C1' 99.165 -2.525 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.512 -0.651 0 C5'-C4'-C3' 117.727 2.018 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.703 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.503 -1.304 0 C3'-C2'-C1' 99.028 -2.623 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.719 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.495 -1.869 0 O4'-C1'-C2' 103.726 -2.158 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.415 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C3'-C2'-C1' 99.076 -2.589 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.512 -0.641 0 C5'-C4'-C3' 117.774 2.05 . . . . 0.67 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.006 0 C3'-C2'-C1' 100.076 -1.874 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.412 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.974 0 O4'-C1'-C2' 104.082 -1.835 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.412 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.163 0 C3'-C2'-C1' 99.526 -2.267 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.463 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.923 0 C3'-C2'-C1' 99.721 -2.128 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.512 -0.652 0 O4'-C1'-C2' 103.664 -2.214 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.594 -1.12 0 C3'-C2'-C1' 99.579 -2.229 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.504 H2'' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.17 0 C3'-C2'-C1' 99.636 -2.189 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.504 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.721 0 C3'-C2'-C1' 99.188 -2.509 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.067 0 C3'-C2'-C1' 100.857 -1.317 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.4 H2'' ' OP2' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C5'-C4'-C3' 116.262 1.042 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.498 H2'' " C5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.685 0 O4'-C4'-C3' 104.222 -1.378 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.61 ' C6 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-C2' 107.25 1.045 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.61 ' H72' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.529 1.063 0 C4'-C3'-C2' 104.673 1.473 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.549 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.219 0 C4'-C3'-C2' 104.383 1.183 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.549 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.089 0.899 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.518 H2'' " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 0.96 0 C5'-C4'-C3' 116.154 0.969 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.518 " H5'" H2'' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C2'-C3'-O3' 114.02 1.267 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.497 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.719 0 C1'-O4'-C4' 110.656 0.683 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.526 H2'' ' C5 ' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.681 0 C3'-C2'-C1' 104.246 1.104 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.526 ' C5 ' H2'' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C4'-C3' 107.068 1.468 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.644 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 P--O3' 1.617 0.802 0 C3'-C2'-C1' 101.222 -1.056 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.475 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 C3'-C2'-C1' 104.814 1.51 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.454 " H1'" " H5'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C4'-C3' 106.455 0.855 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.454 " H5'" " H1'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 C5'-C4'-C3' 115.916 0.811 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.509 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 C4'-C3'-C2' 102.281 -0.919 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.509 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C3'-C2'-C1' 104.448 1.248 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.457 H2'' ' OP2' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.012 0 C5'-C4'-O4' 107.771 -1.018 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.561 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.551 0 C4'-C3'-C2' 102.201 -0.999 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.561 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C4'-C3' 106.165 0.565 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.437 ' H72' " H2'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 O4'-C4'-C3' 106.456 0.856 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 N19-C1'-C2' 115.946 1.091 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.2 ttp . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 120.816 0.341 . . . . 6.94 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -71.49 140.56 84.68 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.338 -0.392 . . . . 5.85 110.497 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.63 153.16 73.68 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.346 2.03 . . . . 1.9 110.706 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 68.5 t -122.82 132.64 70.93 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 N-CA-C 108.869 -0.789 . . . . 0.99 108.869 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.2 p -95.86 171.73 8.46 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 113.497 0.925 . . . . 0.72 113.497 -178.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.505 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.2 pt? -66.5 -19.07 65.7 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 114.201 -1.363 . . . . 0.66 109.822 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -76.46 -38.94 54.62 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 115.781 -0.645 . . . . 0.68 109.978 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.488 ' HB2' HG13 ' A' ' 4' ' ' VAL . 15.1 m-20 -64.94 -41.12 95.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.372 -1.344 . . . . 1.86 107.372 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 5' ' ' THR . 42.7 t -62.32 -43.89 98.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 113.466 -1.697 . . . . 0.66 110.421 177.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.431 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -66.84 -33.29 75.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.609 -0.723 . . . . 0.65 110.667 178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.63 -53.56 32.73 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.776 -0.647 . . . . 2.41 110.602 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.542 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 39.7 t80 -68.82 -25.43 64.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.508 0.671 . . . . 1.68 111.494 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.649 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -86.26 -17.53 34.46 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.219 -0.901 . . . . 0.71 109.198 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.99 45.21 93.02 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.681 -1.368 . . . . 0.68 109.681 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.649 HG22 ' HB3' ' A' ' 13' ' ' ALA . 28.9 m -134.04 -167.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 113.955 -1.122 . . . . 0.62 109.102 -178.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 m -102.19 150.74 22.97 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.049 -1.093 . . . . 1.03 108.049 176.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.505 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.2 p90 -55.58 -38.87 69.94 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 123.619 0.574 . . . . 1.38 109.651 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.49 ' HB2' ' H71' ' C' ' 6' ' ' ' DT' . 0.0 OUTLIER -63.59 -29.92 71.11 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.051 -0.259 . . . . 2.08 110.724 177.089 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.537 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 98.6 m -67.93 -40.1 83.37 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.304 -0.628 . . . . 0.61 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.671 ' O ' HG23 ' A' ' 24' ' ' VAL . 39.9 t -59.22 -51.41 72.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.061 -0.972 . . . . 0.65 110.289 177.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.8 t -61.56 -27.42 68.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.163 -0.926 . . . . 1.22 110.311 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.537 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 12.5 mtm180 -69.8 -35.69 75.06 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.305 -0.628 . . . . 2.65 109.305 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.799 HG13 ' HG2' ' A' ' 35' ' ' ARG . 60.3 t -78.5 -43.38 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.445 0.64 . . . . 0.92 110.806 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 20' ' ' VAL . 41.2 t -61.82 -48.04 90.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.329 -0.85 . . . . 0.94 112.547 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.591 HD21 ' P ' ' D' ' 14' ' ' ' DT' . 72.6 m-20 -97.7 -17.27 19.53 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 114.991 1.478 . . . . 1.24 114.991 -176.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 88.0 mt-30 -130.7 -117.43 0.23 Allowed 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 121.409 -0.807 . . . . 4.46 111.948 -177.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 152.31 -40.71 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.327 0 O-C-N 125.078 1.486 . . . . 2.66 109.333 -176.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 5.8 t -68.28 150.71 47.92 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.171 -0.677 . . . . 2.08 109.171 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.514 ' O ' ' H71' ' C' ' 4' ' ' ' DT' . 65.9 m170 70.52 16.19 7.04 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.574 0.702 . . . . 1.63 109.288 -178.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.5 t -134.26 123.35 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 CA-C-N 114.786 -1.097 . . . . 1.05 108.408 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -71.79 144.24 49.24 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.142 -0.688 . . . . 1.29 109.142 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.19 -35.76 49.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.796 -0.638 . . . . 1.09 112.179 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.26 -47.59 72.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.654 0.264 . . . . 3.08 111.63 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -77.2 -42.78 36.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.033 0.383 . . . . 0.98 112.033 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.799 ' HG2' HG13 ' A' ' 23' ' ' VAL . 4.9 ttp180 -51.2 -51.73 51.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.635 0.606 . . . . 3.63 112.635 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -72.6 -17.68 61.66 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.252 -0.885 . . . . 1.72 111.557 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -86.28 -29.84 22.76 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.152 -0.477 . . . . 1.44 110.035 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 20' ' ' VAL . 93.0 t -79.69 -41.02 21.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.999 0.428 . . . . 0.68 109.861 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -62.9 -27.44 69.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.541 0.686 . . . . 1.7 109.369 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.59 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -76.2 -34.16 59.28 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.018 -0.992 . . . . 0.78 110.036 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.4 -43.64 89.96 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.35 0.595 . . . . 0.79 110.791 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.6 mtt -59.07 -27.92 65.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.982 -1.008 . . . . 0.87 112.804 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.41 -29.64 30.65 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.751 0.786 . . . . 0.93 110.043 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 22.2 mm-40 -70.49 -60.48 2.24 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.657 -1.156 . . . . 1.55 112.241 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.514 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -80.06 -14.17 58.74 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 114.3 -1.318 . . . . 1.79 111.773 -177.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 69.99 68.92 0.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.982 0.801 . . . . 2.2 109.793 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.554 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.6 t80 -80.28 126.66 31.42 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.988 -1.005 . . . . 1.38 110.242 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.81 106.24 55.42 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.601 -0.889 . . . . 1.39 108.601 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.45 118.74 5.52 Favored 'Trans proline' 0 N--CA 1.475 0.431 0 C-N-CA 122.689 2.259 . . . . 0.78 111.957 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -77.74 97.56 5.22 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.105 0.478 . . . . 0.69 110.832 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -62.32 -28.97 70.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.596 -0.729 . . . . 4.2 112.002 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.8 OUTLIER -72.77 -34.29 66.88 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.54 -0.541 . . . . 0.7 109.54 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.794 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -70.74 -41.03 72.35 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.173 -0.677 . . . . 0.53 109.173 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -58.53 -43.01 89.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.36 -1.291 . . . . 1.67 109.243 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -67.81 -34.56 76.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.097 -0.956 . . . . 2.66 111.889 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.601 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 11.7 tp -67.71 -43.83 79.13 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.639 -0.255 . . . . 0.61 110.371 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.83 -19.0 58.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.966 0.412 . . . . 0.85 111.098 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.35 -109.76 0.44 Allowed Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.699 -0.762 . . . . 1.86 112.062 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -138.46 -167.71 2.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.429 -0.582 . . . . 6.17 109.429 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -98.85 -44.19 6.46 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 120.785 -0.366 . . . . 6.76 111.108 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.9 m 63.32 42.25 7.06 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.971 -0.559 . . . . 7.52 111.324 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 C--O 1.253 1.243 0 CA-C-O 118.662 -0.685 . . . . 9.27 109.644 178.92 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 109.319 -0.623 . . . . 6.54 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 140.98 60.86 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 116.085 -0.507 . . . . 5.5 110.711 -178.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -59.86 121.21 9.47 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.223 1.949 . . . . 1.75 110.966 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.712 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 74.0 t -63.73 160.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.243 -0.651 . . . . 0.83 109.243 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.744 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 32.6 p -135.82 163.19 30.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.922 -0.486 . . . . 0.68 110.595 -177.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.701 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.5 OUTLIER -51.28 -32.37 24.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.236 -0.893 . . . . 0.66 110.627 177.266 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.606 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 17.2 m-85 -66.63 -37.73 85.45 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.251 -0.431 . . . . 1.22 111.131 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.65 -41.71 87.82 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.448 -0.575 . . . . 1.45 109.448 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.614 ' HA ' HD23 ' B' ' 45' ' ' LEU . 41.7 t -64.66 -45.35 95.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.282 -0.872 . . . . 0.55 110.355 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.508 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -54.71 -52.86 61.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.245 -0.889 . . . . 0.63 111.461 178.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -56.01 -49.37 73.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.469 -0.787 . . . . 2.46 111.695 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.512 ' CB ' HD21 ' B' ' 45' ' ' LEU . 15.1 t80 -64.57 -49.89 69.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.713 -0.676 . . . . 1.39 111.881 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -27.56 69.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 112.015 0.376 . . . . 0.69 112.015 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.23 44.12 7.69 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.256 -0.973 . . . . 1.09 111.404 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.9 m -133.99 171.86 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 N-CA-C 108.179 -1.045 . . . . 0.62 108.179 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.441 ' O ' ' HB ' ' B' ' 19' ' ' THR . 68.9 m -74.74 155.37 37.75 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 107.618 -1.253 . . . . 1.31 107.618 175.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.459 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -61.55 -43.05 99.57 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 110.091 -0.337 . . . . 1.58 110.091 -178.809 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.479 ' O ' ' HG3' ' B' ' 22' ' ' ARG . 9.9 tp60 -55.33 -38.63 68.99 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.269 0.557 . . . . 0.89 110.455 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' B' ' 16' ' ' SER . 23.5 m -53.44 -40.23 65.02 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.819 -1.082 . . . . 0.64 111.01 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' B' ' 10' ' ' ALA . 16.7 t -67.48 -45.56 85.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.279 -0.873 . . . . 1.17 110.665 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.403 ' OG ' ' H73' ' C' ' 14' ' ' ' DT' . 38.5 m -52.13 -46.8 65.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.848 -1.167 . . . . 1.13 107.848 176.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' B' ' 18' ' ' GLN . 19.1 mtp85 -56.43 -41.2 76.0 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 113.796 -1.547 . . . . 2.87 112.061 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -74.5 -38.55 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.945 0.35 . . . . 0.86 111.945 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.95 -31.68 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-O 121.397 0.618 . . . . 1.03 111.182 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -97.15 -0.51 46.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.738 -0.665 . . . . 1.25 111.177 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 54.64 44.56 28.44 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.685 0.755 . . . . 3.75 109.963 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.55 173.81 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.855 -1.066 . . . . 2.36 110.281 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 1.5 m -89.99 175.21 7.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.915 0.388 . . . . 1.96 110.501 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.413 ' HB2' ' NH2' ' B' ' 22' ' ' ARG . 28.4 m170 71.38 34.9 1.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.578 -0.737 . . . . 1.34 110.899 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -130.28 130.61 65.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.496 -0.557 . . . . 1.1 109.496 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.457 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 35.5 m -71.76 152.22 42.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.517 -0.549 . . . . 0.98 109.517 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.68 -55.67 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.649 0.611 . . . . 1.12 112.649 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -54.62 -52.08 63.35 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.079 0.466 . . . . 3.25 110.244 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.459 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -55.72 -34.63 65.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.64 -0.709 . . . . 0.77 112.142 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -67.93 -47.12 69.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.341 0.591 . . . . 3.59 110.273 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.98 -33.68 75.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.983 -1.008 . . . . 1.96 111.658 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -65.17 -35.38 80.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.834 0.35 . . . . 1.91 110.112 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 34' ' ' THR . 59.7 t -71.61 -41.87 71.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.086 -0.506 . . . . 0.62 110.578 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.39 -28.49 67.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.878 -0.416 . . . . 1.68 109.878 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.77 -44.61 69.82 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.77 109.325 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.454 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -57.09 -31.53 65.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.444 -1.253 . . . . 0.65 110.733 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 63.0 mtt -62.85 -20.6 65.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.479 -0.782 . . . . 0.71 110.164 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.96 -48.0 7.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.537 . . . . 0.9 110.879 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.43 -44.42 94.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.865 -0.607 . . . . 1.58 111.588 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.672 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -76.64 -19.08 58.18 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-N 116.42 -0.354 . . . . 1.14 111.129 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.579 ' O ' HG12 ' B' ' 48' ' ' ILE . 1.8 t30 62.75 46.13 5.4 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.8 -1.185 . . . . 1.24 107.8 -175.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.712 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.8 t80 -49.92 120.32 4.26 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 114.684 -1.143 . . . . 1.46 110.778 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.579 HG12 ' O ' ' B' ' 46' ' ' ASN . 39.4 mm -132.24 96.21 19.96 Favored Pre-proline 0 N--CA 1.441 -0.885 0 N-CA-C 104.376 -2.453 . . . . 1.34 104.376 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.508 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 10.5 Cg_exo -32.06 121.34 0.09 OUTLIER 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 125.119 3.879 . . . . 0.72 116.165 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.533 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 46.9 t-20 -53.42 124.57 15.18 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.41 -0.959 . . . . 0.85 108.41 178.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 3.2 mpt_? -89.66 -22.86 22.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 120.666 -1.271 . . . . 4.55 111.943 -176.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 94.8 m -83.37 -51.83 7.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.509 -0.769 . . . . 0.73 110.442 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.77 -46.84 74.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.586 . . . . 0.64 111.272 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.533 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 59.6 mt-30 -65.59 -30.82 71.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.839 0.681 . . . . 1.04 112.839 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 1.0 OUTLIER -63.08 -52.37 62.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.601 -1.259 . . . . 2.45 107.601 179.128 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.794 HD11 ' HB2' ' A' ' 53' ' ' ALA . 2.3 mp -53.2 -43.74 67.43 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 114.674 -1.148 . . . . 0.65 111.871 178.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.88 -7.13 56.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.433 -0.349 . . . . 1.07 111.322 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.19 46.89 8.75 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.098 -1.049 . . . . 1.6 112.851 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' B' ' 54' ' ' GLN . 51.6 tptt -149.31 158.5 44.23 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 122.443 0.297 . . . . 5.04 110.71 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -149.24 -57.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.97 -0.752 . . . . 6.57 108.97 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.2 m -148.63 -69.35 0.22 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.686 -0.688 . . . . 6.55 109.409 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.527 -0.749 . . . . 8.33 109.604 179.75 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.497 -1.691 0 C3'-C2'-C1' 99.084 -2.583 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.472 H2'' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.253 0 C3'-C2'-C1' 99.819 -2.058 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.472 ' C8 ' H2'' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.827 0 O4'-C1'-C2' 103.914 -1.987 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.039 0 O4'-C1'-C2' 103.826 -2.067 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.514 ' H71' ' O ' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C3'-C2'-C1' 99.857 -2.03 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.463 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.991 0 O4'-C1'-C2' 103.858 -2.038 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.49 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 103.903 -1.997 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.978 0 C3'-C2'-C1' 99.322 -2.413 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.006 0 C3'-C2'-C1' 99.942 -1.97 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C3'-C2'-C1' 98.903 -2.712 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.511 -0.739 0 O4'-C1'-C2' 103.924 -1.978 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.601 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.501 -1.395 0 C3'-C2'-C1' 98.896 -2.717 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.744 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.498 -1.629 0 C3'-C2'-C1' 99.903 -1.998 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.701 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.42 -1.223 0 C5'-C4'-C3' 118.158 2.305 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.488 ' C2 ' ' N7 ' ' C' ' 15' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 C3'-C2'-C1' 99.943 -1.969 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . 0.488 ' N7 ' ' C2 ' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.002 0 O4'-C1'-C2' 104.1 -1.819 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.461 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.503 -1.286 0 O4'-C1'-C2' 104.137 -1.784 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.461 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.502 -1.327 0 C3'-C2'-C1' 99.818 -2.058 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.222 0 O4'-C1'-C2' 104.179 -1.746 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.126 0 O4'-C1'-C2' 104.084 -1.832 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.433 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-C2' 103.905 -1.995 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.433 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 P--O3' 1.62 1.061 0 C3'-C2'-C1' 99.557 -2.245 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.4 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.092 0 C3'-C2'-C1' 99.297 -2.43 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 C4'-C3'-C2' 101.577 -1.623 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.617 0.816 0 C5'-C4'-C3' 116.242 1.028 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.604 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.817 0 C5'-C4'-C3' 116.718 1.345 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.604 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 0.997 0 C5'-C4'-C3' 116.171 0.981 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.423 " C2'" " H5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 C3'-C2'-C1' 104.884 1.56 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.475 ' C8 ' ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.78 0 C4'-C3'-C2' 104.49 1.29 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.651 ' C6 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C3'-C2'-C1' 103.92 0.872 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.651 ' H72' ' C6 ' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C3'-C2'-C1' 104.68 1.415 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.494 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C3'-C2'-C1' 105.582 2.058 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.494 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-N19 108.385 0.731 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.408 H2'' ' OP2' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-C1' 104.177 1.055 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.408 ' OP2' H2'' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C3'-C2'-C1' 106.003 2.359 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.469 " H1'" " H5'" ' D' ' 13' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.733 0 C3'-C2'-C1' 101.594 -0.79 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.539 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.421 -1.218 0 C4'-C3'-C2' 104.6 1.4 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.591 ' P ' HD21 ' A' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-C2' 106.867 0.697 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.485 ' C6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O4'-C1'-C2' 108.008 1.735 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.549 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C1'-O4'-C4' 110.596 0.64 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.549 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.878 0.842 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.477 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.226 1.024 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.485 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C5'-C4'-O4' 108.421 -0.612 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.485 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 C3'-C2'-C1' 101.688 -0.723 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.483 " H5'" H2'' ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C3'-C2'-C1' 104.51 1.293 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . 0.458 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 N19-C1'-C2' 116.144 1.215 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.181 -0.303 . . . . 6.94 110.181 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -68.97 113.93 19.71 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 5.85 110.267 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.64 147.83 51.99 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.253 1.969 . . . . 1.9 111.923 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.493 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 84.2 t -122.8 130.06 74.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.437 -0.949 . . . . 0.99 108.437 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 9' ' ' VAL . 22.6 p -97.41 171.83 8.15 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 113.44 0.904 . . . . 0.72 113.44 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.476 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -66.37 -17.92 65.05 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 114.071 -1.422 . . . . 0.66 109.338 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.61 -40.88 61.28 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.149 -0.932 . . . . 0.68 110.552 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -64.66 -41.62 95.97 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.586 -1.264 . . . . 1.86 107.586 178.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 5' ' ' THR . 44.1 t -60.01 -47.01 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 112.863 -1.971 . . . . 0.66 109.044 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.06 -36.45 81.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.139 -0.937 . . . . 0.65 111.798 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.15 -46.84 63.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.065 0.46 . . . . 2.41 111.115 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 69.1 t80 -71.09 -28.49 64.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.912 -0.586 . . . . 1.68 111.071 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.61 -19.25 33.3 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 109.525 -0.546 . . . . 0.71 109.525 -179.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.01 46.6 43.25 Favored Glycine 0 CA--C 1.502 -0.772 0 N-CA-C 110.548 -1.021 . . . . 0.68 110.548 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.7 m -138.5 -169.56 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.086 -1.057 . . . . 0.62 109.329 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.2 m -102.66 150.34 23.53 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 108.606 -0.887 . . . . 1.03 108.606 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.476 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 36.6 p90 -51.28 -38.48 53.03 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.035 -0.53 . . . . 1.38 110.384 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -60.06 -33.71 72.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 2.08 111.302 176.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.9 m -68.68 -44.4 74.1 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.295 0.569 . . . . 0.61 109.775 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.626 ' HA ' HG11 ' A' ' 38' ' ' VAL . 71.4 t -61.16 -46.89 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 CA-C-N 115.08 -0.964 . . . . 0.65 110.139 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -61.39 -32.9 72.85 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.496 -0.774 . . . . 1.22 110.942 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.574 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 24.9 mtm180 -68.89 -30.3 68.77 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.857 -0.794 . . . . 2.65 108.857 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -78.21 -45.09 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 CA-C-N 115.605 -0.725 . . . . 0.92 109.422 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 20' ' ' VAL . 26.0 t -60.63 -43.06 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 115.562 -0.744 . . . . 0.94 109.423 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -64.65 -32.35 73.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.073 -0.967 . . . . 1.24 110.94 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 67.84 47.02 1.17 Allowed 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.415 0.447 . . . . 4.46 110.958 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.19 -151.48 0.46 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.234 0.54 . . . . 2.66 110.644 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -99.81 -172.65 2.28 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.714 -0.847 . . . . 2.08 108.714 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.7 m170 66.87 25.76 9.44 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.833 -0.432 . . . . 1.63 109.833 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.574 ' CG2' ' HB3' ' A' ' 22' ' ' ARG . 32.3 t -135.21 120.74 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.485 -0.779 . . . . 1.05 109.953 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -78.84 137.75 37.84 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.703 -0.851 . . . . 1.29 108.703 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -51.57 -39.64 58.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 1.09 112.512 -178.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -51.03 65.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.469 0.652 . . . . 3.08 111.372 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -71.86 -36.12 70.02 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.109 -0.95 . . . . 0.98 111.825 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -57.84 -48.64 79.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.13 0.49 . . . . 3.63 111.229 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 22.4 mt-10 -71.07 -19.48 62.47 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.542 -0.754 . . . . 1.72 112.823 -178.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.6 ptpt -85.62 -28.98 24.43 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.185 -0.606 . . . . 1.44 109.695 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.626 HG11 ' HA ' ' A' ' 20' ' ' VAL . 88.8 t -80.06 -41.36 21.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.305 -0.861 . . . . 0.68 109.482 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.23 -29.25 70.27 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.191 -1.041 . . . . 1.7 108.191 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.606 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -72.75 -40.18 66.25 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 114.366 -1.288 . . . . 0.78 110.433 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.91 87.6 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.833 -0.622 . . . . 0.79 110.621 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.545 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 30.8 mtt -64.27 -23.69 67.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.198 -0.91 . . . . 0.87 111.275 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.72 -32.86 20.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.567 0.699 . . . . 0.93 110.237 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 47.2 mm-40 -67.77 -59.39 3.35 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.575 -1.193 . . . . 1.55 111.539 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -80.99 -11.38 59.57 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.179 -1.373 . . . . 1.79 111.94 -177.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 67.57 61.65 0.45 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.607 0.718 . . . . 2.2 110.73 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.493 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.7 t80 -78.97 129.93 35.0 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.105 -0.952 . . . . 1.38 112.143 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -114.74 112.46 45.26 Favored Pre-proline 0 N--CA 1.446 -0.63 0 CA-C-N 115.496 -0.774 . . . . 1.39 109.655 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -63.5 120.68 8.19 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.465 2.11 . . . . 0.78 111.892 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.532 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 51.1 m-80 -77.48 100.2 5.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.35 -0.841 . . . . 0.69 111.253 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' HD2' ' OE1' ' A' ' 54' ' ' GLN . 6.6 mmm180 -59.68 -30.19 68.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.191 -0.459 . . . . 4.2 112.057 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.4 -33.48 73.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.894 0.378 . . . . 0.7 111.06 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -74.97 -39.6 61.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.385 0.612 . . . . 0.53 109.389 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.551 ' HG2' " O3'" ' D' ' 13' ' ' ' DC' . 43.4 mt-30 -64.92 -37.69 88.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.964 -1.016 . . . . 1.67 109.53 178.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -31.66 68.25 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.656 -0.702 . . . . 2.66 109.228 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.722 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 9.9 tp -68.93 -52.7 26.55 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.45 -0.795 . . . . 0.61 111.61 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.86 -14.66 61.54 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.625 0.972 . . . . 0.85 113.625 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.37 56.59 0.41 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 118.942 -1.599 . . . . 1.86 114.019 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -70.41 -26.27 63.61 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.975 0.417 . . . . 6.17 110.888 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 -71.45 1.27 6.64 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.852 -0.613 . . . . 6.76 112.17 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.6 p -77.83 -22.67 49.62 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.458 -0.571 . . . . 7.52 109.458 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.2 mt . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.352 -0.84 . . . . 9.27 110.079 179.509 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.718 -0.475 . . . . 6.54 109.718 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -72.1 -45.41 11.27 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 112.725 0.639 . . . . 5.5 112.725 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.93 127.28 24.27 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 121.805 1.67 . . . . 1.75 111.425 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.698 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 99.4 t -84.38 163.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 115.453 -0.794 . . . . 0.83 110.895 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.656 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 23.0 p -133.52 158.18 43.79 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 116.349 -0.387 . . . . 0.68 110.188 -177.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.526 HD21 HG13 ' B' ' 20' ' ' VAL . 0.8 OUTLIER -54.52 -30.5 53.86 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.913 0.387 . . . . 0.66 110.914 177.039 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.556 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 33.4 m-85 -65.89 -34.85 79.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.854 -0.612 . . . . 1.22 111.466 -178.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -70.55 -36.95 73.95 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.377 -0.601 . . . . 1.45 109.377 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.605 ' HA ' HD23 ' B' ' 45' ' ' LEU . 31.5 t -64.83 -45.28 95.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.26 -0.882 . . . . 0.55 110.455 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.741 ' HB2' HG11 ' B' ' 20' ' ' VAL . . . -55.2 -54.76 39.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.651 -0.704 . . . . 0.63 111.134 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.89 -44.67 94.09 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.091 -0.959 . . . . 2.46 112.885 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.568 ' CB ' HD21 ' B' ' 45' ' ' LEU . 50.3 t80 -63.8 -43.07 97.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.995 0.426 . . . . 1.39 111.447 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.679 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -73.59 -23.1 59.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.785 -0.643 . . . . 0.69 111.523 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.03 44.5 7.6 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.401 -0.905 . . . . 1.09 111.497 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 22.5 m -131.32 171.77 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 109.416 -0.587 . . . . 0.62 109.416 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 53.9 m -76.66 162.66 27.55 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.324 -0.991 . . . . 1.31 108.324 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.46 ' OH ' ' C5 ' ' C' ' 13' ' ' ' DA' . 0.0 OUTLIER -67.48 -40.13 85.27 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.742 -0.383 . . . . 1.58 110.492 -178.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -58.35 -27.88 64.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.78 0.8 . . . . 0.89 110.516 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.2 m -67.24 -50.48 60.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.099 -0.955 . . . . 0.64 112.383 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.741 HG11 ' HB2' ' B' ' 10' ' ' ALA . 2.7 p -62.02 -43.81 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.559 -0.291 . . . . 1.17 110.897 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.451 ' CB ' ' H73' ' C' ' 14' ' ' ' DT' . 3.6 m -57.12 -50.57 72.39 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.533 0.683 . . . . 1.13 109.24 176.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.401 ' HD2' HH11 ' B' ' 22' ' ' ARG . 18.4 mtt85 -50.1 -39.77 43.69 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.735 -1.121 . . . . 2.87 112.689 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.633 HG11 ' HB ' ' B' ' 38' ' ' VAL . 56.1 t -69.82 -37.7 73.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.132 0.491 . . . . 0.86 110.975 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.44 HG22 ' HE1' ' B' ' 42' ' ' MET . 24.2 t -61.12 -34.06 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 CA-C-N 115.575 -0.739 . . . . 1.03 111.007 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -100.75 2.42 41.3 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.349 -0.387 . . . . 1.25 111.703 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 75.0 -53.06 0.67 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.912 0.885 . . . . 3.75 109.206 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.2 -129.24 0.41 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.484 -1.689 . . . . 2.36 110.352 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.4 p -158.32 -42.99 0.06 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.272 0.558 . . . . 1.96 109.859 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -85.71 56.95 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.73 -0.668 . . . . 1.34 110.053 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.5 t -136.39 130.14 47.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 1.1 110.618 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.604 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 18.4 m -78.67 150.22 32.65 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.346 -0.612 . . . . 0.98 109.346 178.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.44 -51.59 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.095 0.405 . . . . 1.12 112.095 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -56.3 -51.69 67.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.856 -0.611 . . . . 3.25 111.016 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.604 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -56.71 -39.1 73.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.288 -0.414 . . . . 0.77 111.302 179.401 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.52 ' HG3' HG13 ' B' ' 23' ' ' VAL . 37.4 ttt180 -66.34 -47.36 73.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.906 0.384 . . . . 3.59 110.928 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -64.54 -34.5 78.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 1.96 111.21 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.679 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 13.5 tppt? -58.95 -47.83 83.69 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.203 0.525 . . . . 1.91 109.764 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.633 ' HB ' HG11 ' B' ' 23' ' ' VAL . 61.0 t -66.23 -40.28 86.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.595 -0.73 . . . . 0.62 111.412 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.64 -36.95 85.9 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 110.07 -0.344 . . . . 1.68 110.07 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.88 -49.07 69.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.183 0.516 . . . . 0.77 109.961 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.38 63.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.413 -0.812 . . . . 0.65 111.359 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.528 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 62.1 mtt -59.2 -23.26 62.11 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.917 0.389 . . . . 0.71 111.104 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.54 -46.4 8.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.619 -0.719 . . . . 0.9 111.027 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' B' ' 44' ' ' GLU . 4.4 mm-40 -60.96 -37.86 83.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.606 0.717 . . . . 1.58 111.22 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.675 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -82.94 -17.87 42.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.89 -1.05 . . . . 1.14 112.394 -179.252 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.498 ' O ' HG12 ' B' ' 48' ' ' ILE . 10.3 t-20 66.15 39.0 4.45 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 106.859 -1.534 . . . . 1.24 106.859 -174.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.698 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.0 t80 -56.78 121.26 9.4 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 114.671 -1.15 . . . . 1.46 111.084 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.498 HG12 ' O ' ' B' ' 46' ' ' ASN . 15.9 mm -127.01 102.83 24.07 Favored Pre-proline 0 N--CA 1.431 -1.391 0 N-CA-C 104.883 -2.266 . . . . 1.34 104.883 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -34.6 123.59 0.18 Allowed 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.951 3.101 . . . . 0.72 114.845 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 53.3 t-20 -66.03 81.9 0.08 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.319 -0.855 . . . . 0.85 110.825 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -51.5 -16.68 0.63 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.153 0.981 . . . . 4.55 113.569 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.412 ' HB2' ' OD1' ' B' ' 50' ' ' ASN . 60.1 m -79.38 -56.32 4.42 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.37 -0.377 . . . . 0.73 110.354 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.401 ' HB3' " H4'" ' C' ' 12' ' ' ' DG' . . . -78.23 -30.35 48.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.507 -0.315 . . . . 0.64 111.194 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.52 ' HG2' H5'' ' C' ' 13' ' ' ' DA' . 21.2 mt-30 -62.02 -44.13 97.37 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.499 -0.319 . . . . 1.04 110.269 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -60.16 -46.36 89.94 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.598 -0.89 . . . . 2.45 108.598 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.5 mp -55.64 -49.64 72.33 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.507 -0.77 . . . . 0.65 111.575 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.31 -1.39 10.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.001 -0.545 . . . . 1.07 112.335 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.93 41.79 10.24 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 121.111 -0.566 . . . . 1.6 112.386 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.429 ' HD2' H5'' ' C' ' 13' ' ' ' DA' . 5.0 tttm -132.59 140.64 48.33 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.931 0.345 . . . . 5.04 111.931 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -175.7 -22.8 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.25 0.344 . . . . 6.57 111.754 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -42.12 61.54 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.228 0.537 . . . . 6.55 111.386 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 39.5 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 117.975 -1.012 . . . . 8.33 109.572 -179.626 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.498 -1.662 0 C3'-C2'-C1' 99.567 -2.238 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.533 H2'' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.758 0 C3'-C2'-C1' 99.538 -2.259 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.533 ' C8 ' H2'' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 103.897 -2.003 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.752 ' C6 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-C1' 99.996 -1.931 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.752 ' H72' ' C6 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C3'-C2'-C1' 100.014 -1.918 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.452 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.157 0 O4'-C1'-C2' 104.067 -1.848 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.452 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.858 0 C3'-C2'-C1' 99.367 -2.381 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.27 0 C3'-C2'-C1' 99.159 -2.529 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.402 ' C6 ' ' C6 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.505 -1.157 0 C3'-C2'-C1' 99.382 -2.37 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.457 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.579 0 C3'-C2'-C1' 99.398 -2.358 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.457 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.815 0 O4'-C1'-C2' 103.736 -2.149 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.722 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.499 -1.591 0 C3'-C2'-C1' 98.275 -3.16 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.656 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.584 -1.911 0 C3'-C2'-C1' 99.832 -2.049 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.52 H5'' ' HG2' ' B' ' 54' ' ' GLN . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 C3'-C2'-C1' 99.384 -2.368 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.476 ' C2 ' ' N7 ' ' C' ' 15' ' ' ' DA' . . . . . . . . 0 P--O3' 1.591 -1.336 0 C3'-C2'-C1' 99.825 -2.054 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . 0.476 ' N7 ' ' C2 ' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.038 0 C3'-C2'-C1' 99.937 -1.974 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.425 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.011 0 O4'-C1'-C2' 104.07 -1.846 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.425 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C5'-C4'-C3' 117.88 2.12 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.961 0 C3'-C2'-C1' 99.885 -2.011 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.102 0 O4'-C1'-C2' 104.124 -1.796 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.477 H2'' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.598 -0.747 0 C3'-C2'-C1' 99.676 -2.16 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.477 ' H71' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.122 0 C3'-C2'-C1' 99.197 -2.502 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.435 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.454 0.761 0 O4'-C1'-C2' 103.778 -2.111 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . 0.402 H2'' ' OP2' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.092 0 C3'-C2'-C1' 101.65 -0.75 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.413 H2'' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.723 0 C4'-C3'-C2' 102.221 -0.979 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.413 " C2'" ' H71' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-C2' 107.434 1.212 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.413 ' H71' " C2'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C1'-O4'-C4' 110.79 0.779 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.527 0.894 0 C3'-C2'-C1' 105.435 1.954 . . . . 0.83 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.674 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.796 0 C4'-C3'-C2' 104.0 0.8 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.674 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-C2' 107.444 1.222 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.457 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.887 0 C3'-C2'-C1' 104.883 1.559 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.513 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.891 0 O4'-C1'-C2' 107.004 0.822 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.513 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-C2' 105.379 -0.656 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.466 H2'' ' OP2' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 C5'-C4'-C3' 115.845 0.764 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.469 H2'' " O5'" ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C3'-C2'-C1' 105.913 2.295 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.609 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C3'-C2'-C1' 101.556 -0.817 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.551 " O3'" ' HG2' ' A' ' 54' ' ' GLN . . . . . . . . 0 C2'--C1' 1.507 -0.998 0 C5'-C4'-C3' 117.114 1.61 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.494 ' C2 ' ' C4 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.877 0 C5'-C4'-O4' 108.176 -0.765 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.494 ' C4 ' ' C2 ' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 P--O3' 1.621 1.176 0 O4'-C1'-C2' 107.765 1.514 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.46 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C5'-C4'-C3' 116.131 0.954 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.46 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 P--O3' 1.615 0.637 0 N19-C1'-C2' 115.117 0.573 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.462 ' C6 ' ' N6 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C5'-C4'-C3' 116.142 0.962 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.508 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 102.476 -0.724 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.514 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 N19-C1'-C2' 115.225 0.641 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.514 ' H71' " C2'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C3'-C2'-C1' 104.343 1.173 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . 0.492 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 N19-C1'-C2' 115.682 0.926 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 ttp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 109.775 -0.454 . . . . 6.94 109.775 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -71.28 156.87 91.17 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.344 -0.389 . . . . 5.85 110.402 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.96 147.7 91.84 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.788 1.659 . . . . 1.9 109.803 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.637 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 3.3 t -95.76 169.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 109.031 -0.729 . . . . 0.99 109.031 -178.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.51 ' H ' HG12 ' A' ' 4' ' ' VAL . 25.2 p -135.59 163.15 30.77 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.174 -0.676 . . . . 0.72 109.174 -179.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.454 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -65.24 -17.61 64.63 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.669 -0.493 . . . . 0.66 109.669 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -76.76 -37.21 56.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.854 -0.612 . . . . 0.68 109.705 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.75 -38.24 89.77 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 122.689 1.233 . . . . 1.86 108.063 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 5' ' ' THR . 21.2 t -68.76 -47.85 74.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 113.167 -1.833 . . . . 0.66 109.77 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.81 91.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.479 -0.782 . . . . 0.65 110.92 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.39 -52.44 61.64 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.091 -0.504 . . . . 2.41 110.693 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.521 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 32.0 t80 -65.95 -25.66 67.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 1.68 111.93 -178.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.458 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -93.16 -17.36 23.83 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-O 120.903 0.382 . . . . 0.71 110.417 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.75 37.53 26.16 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.286 -0.726 . . . . 0.68 111.286 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.9 m -133.24 179.09 4.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 114.79 -0.705 . . . . 0.62 110.11 -178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.4 m -88.06 159.96 18.03 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.916 -0.772 . . . . 1.03 108.916 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.454 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 17.1 p90 -58.82 -41.93 88.0 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.98 -0.688 . . . . 1.38 109.385 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -60.95 -29.08 69.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.021 -0.536 . . . . 2.08 111.596 177.791 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' A' ' 15' ' ' VAL . 93.0 m -68.04 -39.09 83.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.021 -0.733 . . . . 0.61 109.021 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.635 ' O ' HG23 ' A' ' 24' ' ' VAL . 95.2 t -63.03 -50.22 80.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.087 -0.961 . . . . 0.65 110.662 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 m -60.67 -29.89 69.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.449 -0.342 . . . . 1.22 111.29 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 33.3 mtm180 -72.14 -28.88 63.54 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.706 -0.479 . . . . 2.65 109.706 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.415 HG13 ' HG3' ' A' ' 35' ' ' ARG . 74.5 t -84.04 -40.66 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.92 110.317 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 20' ' ' VAL . 51.8 t -65.96 -51.09 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 115.543 -0.753 . . . . 0.94 111.648 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.546 HD21 ' P ' ' D' ' 14' ' ' ' DT' . 43.0 m-80 -80.19 -33.68 38.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.137 -0.938 . . . . 1.24 113.366 -178.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.499 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 54.2 mt-30 -133.45 -109.31 0.23 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 120.495 -0.482 . . . . 4.46 111.052 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 158.43 -34.45 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 124.611 1.194 . . . . 2.66 110.392 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.94 155.71 39.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.427 -0.806 . . . . 2.08 110.846 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.403 ' O ' ' H71' ' C' ' 4' ' ' ' DT' . 54.5 m170 68.82 17.03 8.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.368 0.604 . . . . 1.63 110.941 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.48 131.83 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 107.37 -1.344 . . . . 1.05 107.37 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.402 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 2.8 m -54.82 139.9 38.28 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.747 0.784 . . . . 1.29 110.713 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.02 -8.68 39.62 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.402 -0.817 . . . . 1.09 112.462 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.49 -36.59 12.37 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.387 -1.338 . . . . 3.08 107.387 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -75.86 -36.32 59.6 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 114.645 -1.161 . . . . 0.98 112.505 -179.673 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HG3' HG13 ' A' ' 23' ' ' VAL . 47.8 ttp180 -52.43 -50.1 63.25 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.624 0.601 . . . . 3.63 112.624 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -72.6 -21.46 61.12 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.073 0.463 . . . . 1.72 111.125 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -81.84 -31.14 31.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.731 -0.668 . . . . 1.44 110.386 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 34' ' ' THR . 89.1 t -76.23 -43.39 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.127 -0.694 . . . . 0.68 109.127 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -63.99 -27.72 69.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.371 -0.831 . . . . 1.7 109.453 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.46 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.57 -35.01 63.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.162 -0.926 . . . . 0.78 109.984 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.53 87.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.79 110.384 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.0 mtt -64.4 -26.8 68.62 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.69 -0.686 . . . . 0.87 112.074 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.49 -30.69 37.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.007 0.908 . . . . 0.93 109.676 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.521 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 59.9 mm-40 -70.12 -59.16 3.06 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-N 114.116 -1.402 . . . . 1.55 110.822 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.61 -14.72 57.95 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.113 -1.858 . . . . 1.79 111.85 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.84 55.49 1.62 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.438 0.637 . . . . 2.2 110.184 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.637 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 11.6 t80 -71.97 125.82 28.18 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.287 -0.87 . . . . 1.38 111.915 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.88 114.83 53.92 Favored Pre-proline 0 N--CA 1.443 -0.823 0 N-CA-C 108.727 -0.842 . . . . 1.39 108.727 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.92 118.61 5.49 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.794 2.33 . . . . 0.78 111.745 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.52 ' HB2' ' OP1' ' D' ' 13' ' ' ' DC' . 5.7 m-20 -70.91 100.54 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.653 0.612 . . . . 0.69 112.653 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt-85 -64.1 -20.78 66.2 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.354 -0.839 . . . . 4.2 111.786 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -77.9 -48.92 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.307 . . . . 0.7 110.561 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.773 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -65.11 -38.81 91.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.154 -0.684 . . . . 0.53 109.154 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.45 HE21 ' HB2' ' A' ' 54' ' ' GLN . 3.4 tp-100 -53.23 -44.53 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.638 -1.165 . . . . 1.67 110.02 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -70.98 -36.02 72.35 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.433 -0.803 . . . . 2.66 109.988 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.716 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 7.2 tp -64.83 -52.94 54.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.999 -0.546 . . . . 0.61 111.693 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.74 -20.95 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.475 0.917 . . . . 0.85 113.475 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.65 107.99 0.54 Allowed Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.533 -0.841 . . . . 1.86 113.126 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.5 ' HZ1' " C3'" ' D' ' 14' ' ' ' DT' . 0.0 OUTLIER -63.44 -27.66 69.44 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.152 0.501 . . . . 6.17 110.031 178.898 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -93.19 -71.35 0.66 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.745 -0.661 . . . . 6.76 110.842 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.3 m 59.8 36.12 22.08 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.813 -0.631 . . . . 7.52 111.22 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.5 mt . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.548 -0.739 . . . . 9.27 110.198 179.654 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.472 0.66 0 CA-C-O 121.08 0.467 . . . . 6.54 109.999 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -111.92 124.82 31.45 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.943 -0.571 . . . . 5.5 110.363 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.77 130.38 18.0 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.969 1.78 . . . . 1.75 110.893 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.703 HG21 ' O ' ' B' ' 45' ' ' LEU . 97.0 t -75.93 158.62 5.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.136 -0.69 . . . . 0.83 109.136 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.756 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 39.2 p -135.19 161.35 35.6 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.263 0.554 . . . . 0.68 111.273 -177.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.597 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.6 OUTLIER -50.41 -31.0 13.73 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.016 -0.993 . . . . 0.66 110.443 178.059 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.657 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 17.1 m-85 -69.44 -35.31 75.54 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.901 -0.591 . . . . 1.22 111.316 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -69.73 -35.85 75.35 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.926 -0.768 . . . . 1.45 108.926 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.586 ' HA ' HD23 ' B' ' 45' ' ' LEU . 42.9 t -67.76 -43.71 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.158 -0.928 . . . . 0.55 110.283 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.494 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -58.21 -49.55 76.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.489 -0.778 . . . . 0.63 111.576 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -45.21 94.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.272 -0.877 . . . . 2.46 111.605 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.521 ' CB ' HD21 ' B' ' 45' ' ' LEU . 26.8 t80 -65.94 -50.62 63.75 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 111.822 0.305 . . . . 1.39 111.822 -178.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.409 ' HB1' ' CG ' ' B' ' 37' ' ' LYS . . . -67.16 -31.39 71.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.535 -0.466 . . . . 0.69 111.568 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.8 43.55 4.14 Favored Glycine 0 C--N 1.321 -0.302 0 C-N-CA 120.244 -0.979 . . . . 1.09 112.614 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.2 m -134.24 169.08 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.104 -1.073 . . . . 0.62 108.104 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' B' ' 19' ' ' THR . 70.4 m -73.97 151.04 40.42 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 107.735 -1.209 . . . . 1.31 107.735 177.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.502 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -56.27 -40.92 74.99 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 110.374 -0.232 . . . . 1.58 110.374 -179.424 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -54.91 -38.6 67.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.524 0.678 . . . . 0.89 110.696 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' B' ' 16' ' ' SER . 27.5 m -55.59 -36.97 67.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.827 -1.078 . . . . 0.64 111.415 178.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.494 HG21 ' HB2' ' B' ' 10' ' ' ALA . 3.6 t -67.93 -48.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-N 115.721 -0.672 . . . . 1.17 110.215 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.454 ' OG ' ' H73' ' C' ' 14' ' ' ' DT' . 72.4 m -51.97 -48.41 64.37 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.933 -1.136 . . . . 1.13 107.933 176.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -55.04 -38.12 67.57 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.826 -1.534 . . . . 2.87 112.978 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.417 HG22 ' HD3' ' B' ' 35' ' ' ARG . 55.1 t -76.34 -42.3 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.79 -0.448 . . . . 0.86 109.79 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.65 -37.86 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 115.734 -0.666 . . . . 1.03 111.818 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.402 HD21 ' P ' ' C' ' 14' ' ' ' DT' . 27.0 m-80 -90.43 -4.88 56.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.97 -0.559 . . . . 1.25 111.135 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 56.76 39.39 29.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.695 0.76 . . . . 3.75 109.831 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.66 168.82 19.06 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.496 -1.229 . . . . 2.36 110.94 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.21 176.4 9.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 1.96 111.667 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 25.2 m170 67.84 26.39 7.64 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.455 -0.793 . . . . 1.34 110.767 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.662 ' HB ' ' NH2' ' B' ' 35' ' ' ARG . 49.9 t -119.98 124.99 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 115.396 -0.82 . . . . 1.1 110.054 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.52 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 49.0 m -68.1 152.12 45.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.601 -0.272 . . . . 0.98 110.758 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -52.92 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 1.12 112.111 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -53.26 -55.18 26.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.962 -0.563 . . . . 3.25 110.122 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.573 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -53.43 -38.78 63.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.38 -0.827 . . . . 0.77 111.485 178.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.662 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 8.2 tpp180 -63.61 -55.67 21.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.199 0.523 . . . . 3.59 109.829 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.14 -37.12 79.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.135 -0.939 . . . . 1.96 111.877 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.409 ' CG ' ' HB1' ' B' ' 13' ' ' ALA . 4.6 ttmm -63.25 -36.68 84.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.405 . . . . 1.91 110.861 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 34' ' ' THR . 94.2 t -75.86 -39.63 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.294 -0.412 . . . . 0.62 110.992 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -68.12 -26.97 66.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.328 -0.396 . . . . 1.68 110.648 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.44 -48.97 36.85 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.43 -0.805 . . . . 0.77 110.171 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.502 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -54.24 -28.94 44.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.227 -0.897 . . . . 0.65 111.177 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 65.3 mtt -60.91 -22.4 64.31 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.255 -0.884 . . . . 0.71 109.97 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.58 -49.45 8.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.494 . . . . 0.9 111.008 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.6 -48.83 78.32 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.484 0.659 . . . . 1.58 110.995 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.703 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -73.18 -18.66 61.24 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.171 -0.922 . . . . 1.14 112.398 -178.713 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.23 41.31 2.56 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.623 -1.621 . . . . 1.24 106.623 -174.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.653 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.4 t80 -54.47 119.14 4.82 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.041 -0.982 . . . . 1.46 110.848 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.1 mt -134.23 100.16 13.01 Favored Pre-proline 0 N--CA 1.436 -1.168 0 N-CA-C 102.505 -3.146 . . . . 1.34 102.505 177.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.536 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.4 OUTLIER -29.76 125.77 0.06 OUTLIER 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 124.722 3.615 . . . . 0.72 116.014 -174.867 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.576 ' HB2' HG22 ' B' ' 5' ' ' THR . 0.4 OUTLIER -63.68 78.76 0.03 OUTLIER 'General case' 0 C--N 1.346 0.457 0 CA-C-N 114.737 -1.12 . . . . 0.85 109.599 179.568 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 11.0 mmm180 -48.72 -26.51 2.36 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.879 -1.055 . . . . 4.55 112.966 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 56.1 m -67.28 -63.41 1.06 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.981 0.42 . . . . 0.73 110.955 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.65 65.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.041 -0.527 . . . . 0.64 111.315 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.536 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 9.5 mt-30 -66.83 -27.04 67.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.858 -0.61 . . . . 1.04 111.751 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 1.5 mt-30 -91.22 -21.08 21.29 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.642 -0.873 . . . . 2.45 108.642 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.773 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.7 tp -74.61 -48.82 24.31 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.877 -1.056 . . . . 0.65 109.918 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.92 5.2 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 1.07 111.477 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 149.98 -86.5 0.15 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.631 -0.795 . . . . 1.6 112.229 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? 171.84 118.66 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.721 0.296 . . . . 5.04 111.364 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -156.07 132.12 9.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.195 -0.457 . . . . 6.57 110.107 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 6.1 m -100.89 -71.11 0.72 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.256 -0.646 . . . . 6.55 109.256 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.602 0 N-CA-C 108.781 -0.822 . . . . 8.33 108.781 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . 0.56 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.501 -1.438 0 C3'-C2'-C1' 99.248 -2.465 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.56 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.076 0 C3'-C2'-C1' 99.716 -2.131 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.409 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 103.646 -2.231 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.453 " H1'" " H5'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C1'-C2' 103.912 -1.989 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.453 " H5'" " H1'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.503 -1.276 0 C3'-C2'-C1' 99.404 -2.354 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.45 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.954 0 C5'-C4'-C3' 117.307 1.738 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.45 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 C3'-C2'-C1' 99.663 -2.169 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . 0.465 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.027 0 C3'-C2'-C1' 99.493 -2.291 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.465 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.026 0 C3'-C2'-C1' 99.354 -2.39 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.452 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.514 -0.53 0 C3'-C2'-C1' 98.877 -2.731 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.452 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-C2' 103.923 -1.979 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.716 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.498 -1.616 0 C3'-C2'-C1' 98.629 -2.908 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.756 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.495 -1.841 0 O4'-C1'-C2' 103.889 -2.01 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.597 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C5'-C4'-C3' 118.282 2.388 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.454 ' H73' ' OG ' ' B' ' 21' ' ' SER . . . . . . . . 0 C2'--C1' 1.507 -1.03 0 O4'-C1'-C2' 104.173 -1.752 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.969 0 C3'-C2'-C1' 100.173 -1.805 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.404 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.084 0 O4'-C1'-C2' 104.163 -1.761 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.404 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.914 0 O4'-C1'-C2' 104.059 -1.856 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.001 0 C3'-C2'-C1' 99.577 -2.23 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 O4'-C1'-C2' 104.08 -1.836 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.91 0 C3'-C2'-C1' 99.792 -2.077 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.455 0.828 0 C3'-C2'-C1' 99.637 -2.188 . . . . 1.84 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 98.995 -2.647 . . . . 2.17 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.189 0 C3'-C2'-C1' 100.944 -1.254 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.421 H2'' ' OP2' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-C2' 107.061 0.873 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.537 H2'' " C5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C4'-C3' 104.323 -1.277 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.537 " C5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C4'-C3' 104.721 -0.879 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.417 ' H72' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.411 -0.729 0 C3'-C2'-C1' 105.55 2.036 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.463 ' C8 ' ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.736 0 C4'-C3'-C2' 104.296 1.096 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.463 ' H72' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 107.311 1.101 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.479 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 105.601 2.072 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.479 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 P--O3' 1.616 0.761 0 C3'-C2'-C1' 104.297 1.141 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.491 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.633 0 C5'-C4'-O4' 108.154 -0.779 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.491 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 C5'-C4'-O4' 108.178 -0.764 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.549 H2'' " O5'" ' D' ' 12' ' ' ' DG' . . . . . . . . 0 P--O3' 1.62 1.114 0 C3'-C2'-C1' 106.494 2.71 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.573 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 P--O3' 1.622 1.233 0 C3'-C2'-C1' 100.206 -1.781 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.602 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 P--O3' 1.619 1.019 0 C3'-C2'-C1' 105.296 1.855 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.567 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.412 -0.579 0 C3'-C2'-C1' 104.907 1.577 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.567 ' C6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 P--O3' 1.615 0.684 0 O4'-C1'-C2' 107.969 1.699 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.527 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 C4'-C3'-C2' 102.453 -0.747 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.527 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C4'-C3' 106.177 0.577 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.426 ' OP2' H2'' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-C2' 106.74 0.582 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.466 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.076 0 C4'-C3'-C2' 104.092 0.892 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.466 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C5'-C4'-C3' 116.339 1.093 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.477 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.955 0 C3'-C2'-C1' 105.128 1.734 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . 0.477 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.649 0 O4'-C1'-C2' 107.21 1.009 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 ptp . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.795 0.331 . . . . 6.94 110.831 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -131.27 112.82 15.66 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 116.301 -0.409 . . . . 5.85 110.871 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -68.41 115.21 3.76 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 121.525 1.483 . . . . 1.9 108.829 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.56 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 3.8 t -100.53 170.37 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 108.713 -0.847 . . . . 0.99 108.713 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.545 ' H ' HG12 ' A' ' 4' ' ' VAL . 55.6 p -136.08 159.06 42.87 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.106 -1.072 . . . . 0.72 108.106 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.52 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -62.51 -15.85 52.6 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.177 0.513 . . . . 0.66 109.855 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -78.8 -36.74 42.26 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.736 -0.666 . . . . 0.68 110.59 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -63.51 -38.37 90.89 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.62 1.2 . . . . 1.86 107.785 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.6 t -66.7 -44.92 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.125 0 CA-C-N 112.72 -2.036 . . . . 0.66 109.873 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -65.14 -35.68 81.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.281 -0.872 . . . . 0.65 111.538 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -71.13 -50.37 34.18 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.682 -0.69 . . . . 2.41 110.542 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 51.7 t80 -67.32 -23.01 65.59 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.535 -0.757 . . . . 1.68 111.472 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.514 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -93.35 -23.04 18.6 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 121.693 -0.629 . . . . 0.71 110.024 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.04 36.72 24.05 Favored Glycine 0 CA--C 1.506 -0.47 0 N-CA-C 110.816 -0.914 . . . . 0.68 110.816 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG22 ' HB3' ' A' ' 13' ' ' ALA . 24.0 m -127.31 -174.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.773 -0.713 . . . . 0.62 110.041 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -89.14 158.49 17.91 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 107.796 -1.187 . . . . 1.03 107.796 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.52 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 27.1 p90 -61.78 -41.72 98.08 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.28 -0.968 . . . . 1.38 109.833 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.506 ' HB2' ' H72' ' C' ' 6' ' ' ' DT' . 0.0 OUTLIER -60.89 -26.68 67.59 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.99 -0.284 . . . . 2.08 111.027 177.025 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.8 m -64.36 -42.69 96.07 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.659 0.742 . . . . 0.61 109.297 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 24' ' ' VAL . 68.4 t -60.64 -52.06 65.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.51 -1.223 . . . . 0.65 110.195 177.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.9 t -63.53 -26.88 68.91 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 120.913 0.387 . . . . 1.22 110.259 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -36.54 72.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.656 -0.868 . . . . 2.65 108.656 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.516 HG13 ' HG3' ' A' ' 35' ' ' ARG . 54.5 t -75.32 -40.86 43.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.519 0.676 . . . . 0.92 109.971 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 20' ' ' VAL . 40.3 t -68.04 -42.05 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.934 -1.03 . . . . 0.94 113.393 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -113.14 -1.71 14.31 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.747 1.758 . . . . 1.24 115.747 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -165.04 74.44 0.23 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.009 1.277 . . . . 4.46 112.979 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.86 -40.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.497 0.925 . . . . 2.66 113.497 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 1.2 m -67.78 148.93 50.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.791 -0.64 . . . . 2.08 110.18 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.546 ' HB2' ' O ' ' A' ' 28' ' ' SER . 28.5 m170 78.91 15.57 1.08 Allowed 'General case' 0 C--N 1.342 0.262 0 N-CA-C 107.993 -1.114 . . . . 1.63 107.993 -178.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 t -139.17 130.59 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 114.81 -1.086 . . . . 1.05 109.454 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.459 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 47.9 m -65.77 141.9 58.16 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.966 -0.561 . . . . 1.29 109.707 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.635 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.39 -40.05 81.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.695 -0.684 . . . . 1.09 111.36 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -42.56 85.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.929 0.395 . . . . 3.08 111.386 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.479 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -76.34 -39.38 54.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.141 -0.481 . . . . 0.98 111.815 179.415 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.516 ' HG3' HG13 ' A' ' 23' ' ' VAL . 33.9 ttm180 -59.26 -47.86 83.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.235 0.54 . . . . 3.63 111.704 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 35.3 mt-10 -70.48 -17.57 62.97 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.814 -0.63 . . . . 1.72 111.616 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.479 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 5.4 ptpt -87.8 -26.24 22.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.261 0.553 . . . . 1.44 110.086 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 20' ' ' VAL . 70.0 t -82.03 -44.35 19.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.67 -0.695 . . . . 0.68 109.475 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.11 -34.18 71.73 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.814 -0.81 . . . . 1.7 108.814 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -67.08 -39.39 86.79 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.368 -1.287 . . . . 0.78 110.237 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.67 97.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.79 111.166 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.7 mtm -64.54 -22.06 66.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.171 -0.468 . . . . 0.87 111.84 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.7 -34.59 27.28 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.925 0.869 . . . . 0.93 109.564 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.499 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 44.2 mm-40 -68.37 -58.03 4.98 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 113.946 -1.479 . . . . 1.55 111.17 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -12.55 59.36 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 114.257 -1.338 . . . . 1.79 112.672 -177.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.482 ' O ' HD12 ' A' ' 48' ' ' ILE . 9.2 m120 62.08 57.6 2.02 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.132 0.491 . . . . 2.2 109.938 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.56 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.1 t80 -73.45 126.76 30.94 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.565 -0.743 . . . . 1.38 111.491 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 46' ' ' ASN . 2.7 mp -116.52 109.82 43.38 Favored Pre-proline 0 N--CA 1.446 -0.672 0 N-CA-C 108.703 -0.851 . . . . 1.39 108.703 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -53.89 123.38 13.31 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 123.067 2.512 . . . . 0.78 112.563 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.461 ' HB2' H5'' ' D' ' 13' ' ' ' DC' . 27.0 m-80 -73.98 103.85 4.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.488 0.661 . . . . 0.69 112.32 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -18.75 65.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.636 -0.711 . . . . 4.2 111.127 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.64 -45.36 30.2 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.497 -0.557 . . . . 0.7 109.497 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.622 ' HB3' " H5'" ' D' ' 13' ' ' ' DC' . . . -70.66 -35.74 73.01 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.248 -0.649 . . . . 0.53 109.248 178.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -58.18 -51.94 67.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.919 -1.037 . . . . 1.67 110.505 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -64.29 -32.31 73.86 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.616 -0.434 . . . . 2.66 110.674 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.665 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 7.2 tp -67.24 -49.09 65.76 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.178 -0.464 . . . . 0.61 110.914 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.71 -17.64 16.38 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.455 0.909 . . . . 0.85 113.455 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.12 89.31 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.453 -0.88 . . . . 1.86 112.497 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 55' ' ' GLN . 10.9 mttp -64.11 153.3 38.03 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 123.084 0.554 . . . . 6.17 110.805 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.471 ' O ' ' HB2' ' A' ' 61' ' ' SER . 11.2 mm100 -84.97 87.0 7.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.259 -0.428 . . . . 6.76 110.382 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.471 ' HB2' ' O ' ' A' ' 60' ' ' GLN . 68.0 m 75.2 -53.58 0.66 Allowed 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.007 0.817 . . . . 7.52 112.133 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' O ' HD23 ' A' ' 62' ' ' LEU . 5.7 tt . . . . . 0 C--O 1.247 0.924 0 N-CA-C 108.734 -0.839 . . . . 9.27 108.734 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ttt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.136 -0.32 . . . . 6.54 110.136 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -101.73 116.91 62.77 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.406 -0.59 . . . . 5.5 109.406 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.46 133.78 60.05 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.529 2.152 . . . . 1.75 111.895 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.618 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.2 t -74.28 160.49 5.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.12 0.486 . . . . 0.83 109.928 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.616 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 5.5 p -131.7 155.85 46.93 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 116.228 -0.442 . . . . 0.68 111.04 -177.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.79 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.7 OUTLIER -51.63 -29.35 17.35 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 111.892 0.33 . . . . 0.66 111.892 177.045 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.584 ' HE1' " H2'" ' C' ' 12' ' ' ' DG' . 31.6 m-85 -69.36 -36.8 77.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.834 -1.076 . . . . 1.22 111.105 -178.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.83 -39.32 90.72 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.393 0.616 . . . . 1.45 109.422 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.553 ' HA ' HD23 ' B' ' 45' ' ' LEU . 25.3 t -65.18 -46.19 91.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-N 115.013 -0.994 . . . . 0.55 110.891 -179.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.529 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -54.85 -53.82 50.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.036 -0.984 . . . . 0.63 111.026 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -58.61 -49.33 77.87 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.357 -1.292 . . . . 2.46 111.777 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.526 ' CB ' HD21 ' B' ' 45' ' ' LEU . 40.9 t80 -60.8 -50.3 74.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 1.39 111.738 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.731 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -68.31 -21.09 64.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.805 0.668 . . . . 0.69 112.805 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.44 42.1 19.05 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 111.222 -0.751 . . . . 1.09 111.222 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -129.72 171.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 N-CA-C 108.658 -0.868 . . . . 0.62 108.658 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 46.7 p -72.89 159.26 34.0 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.759 -1.2 . . . . 1.31 107.759 177.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.499 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -70.09 -15.17 62.95 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.895 -0.322 . . . . 1.58 110.391 -179.121 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -82.62 -35.55 26.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.757 -1.201 . . . . 0.89 107.757 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.461 ' O ' HG23 ' B' ' 23' ' ' VAL . 70.1 m -52.87 -36.01 58.45 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 113.95 -1.477 . . . . 0.64 109.392 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' B' ' 10' ' ' ALA . 1.8 t -66.76 -52.25 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.468 -0.787 . . . . 1.17 109.428 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 60.3 m -53.85 -49.0 69.43 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 107.91 -1.144 . . . . 1.13 107.91 176.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -52.4 -38.54 59.22 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 113.663 -1.608 . . . . 2.87 113.236 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 19' ' ' THR . 65.9 t -78.55 -46.96 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 117.985 0.357 . . . . 0.86 110.628 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 20' ' ' VAL . 72.2 t -56.78 -40.68 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 O-C-N 123.716 0.635 . . . . 1.03 110.878 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.467 HD21 ' P ' ' C' ' 14' ' ' ' DT' . 31.6 m-80 -86.67 -5.34 59.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 1.25 111.723 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 56.73 40.77 28.98 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.493 -0.558 . . . . 3.75 109.493 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.92 170.56 15.71 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 114.908 -1.042 . . . . 2.36 112.26 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.98 173.14 11.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.267 -0.879 . . . . 1.96 112.73 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 55.0 m170 63.86 50.3 2.64 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.134 -0.939 . . . . 1.34 109.977 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -139.49 129.48 30.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.245 -0.889 . . . . 1.1 110.293 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.502 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 32.6 m -74.45 152.6 39.43 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.99 -0.55 . . . . 0.98 109.739 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.08 -49.19 74.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.96 -0.564 . . . . 1.12 111.425 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -57.5 -55.62 32.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.027 -0.533 . . . . 3.25 112.147 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.502 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -52.65 -34.07 49.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.224 -0.444 . . . . 0.77 111.397 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 7.0 tpp180 -71.19 -46.18 61.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.274 -0.421 . . . . 3.59 110.313 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -65.93 -32.7 74.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 1.96 111.786 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.731 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 16.9 tppt? -63.54 -49.14 74.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.872 -0.604 . . . . 1.91 110.836 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.548 ' O ' ' HG3' ' B' ' 42' ' ' MET . 61.1 t -64.29 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.596 -0.729 . . . . 0.62 111.589 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 47.9 mt-10 -60.39 -39.84 88.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.915 0.388 . . . . 1.68 110.701 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.54 -43.27 66.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.311 0.577 . . . . 0.77 110.749 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.75 -29.64 59.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.399 -0.818 . . . . 0.65 110.774 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.548 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 51.8 mtt -62.8 -22.07 66.35 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.571 -0.74 . . . . 0.71 110.937 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.59 -43.89 9.9 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.111 -0.495 . . . . 0.9 110.522 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.22 -55.39 35.34 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.555 -0.748 . . . . 1.58 111.229 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.2 OUTLIER -74.54 -14.21 60.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.09 -0.959 . . . . 1.14 111.431 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.48 43.65 5.81 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.973 -1.121 . . . . 1.24 107.973 -175.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.618 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 t80 -57.44 122.88 13.66 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 114.622 -1.172 . . . . 1.46 111.22 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 80.7 mt -138.67 98.09 8.93 Favored Pre-proline 0 N--CA 1.437 -1.106 0 N-CA-C 103.434 -2.802 . . . . 1.34 103.434 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.564 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.2 OUTLIER -28.97 121.66 0.05 OUTLIER 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 125.101 3.867 . . . . 0.72 116.725 -175.443 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.474 HD22 " H5'" ' C' ' 12' ' ' ' DG' . 62.6 t-20 -56.55 87.6 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 113.956 -1.475 . . . . 0.85 110.188 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 17.6 mmt85 -51.04 -23.77 3.29 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.729 1.011 . . . . 4.55 113.729 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 69.8 m -77.71 -57.06 4.01 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 119.992 -0.683 . . . . 0.73 111.56 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.36 -35.69 71.23 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.141 0.496 . . . . 0.64 111.193 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.564 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 6.9 mt-30 -65.87 -29.56 70.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.746 -0.661 . . . . 1.04 112.422 -178.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -89.39 -21.5 23.03 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.043 -0.725 . . . . 2.45 109.043 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.441 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 2.6 tp -77.94 -42.36 33.28 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.085 -0.961 . . . . 0.65 108.919 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.23 3.08 3.08 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.699 0.629 . . . . 1.07 112.699 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.61 -70.37 0.21 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.155 -1.022 . . . . 1.6 113.989 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' B' ' 54' ' ' GLN . 23.0 ttmm 60.27 -87.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.307 0.643 . . . . 5.04 111.078 -178.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -136.53 26.22 3.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.775 -0.648 . . . . 6.57 109.682 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -101.66 -17.04 16.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.361 -0.381 . . . . 6.55 111.655 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 12.2 tp . . . . . 0 C--O 1.25 1.11 0 CA-C-O 117.813 -1.089 . . . . 8.33 109.363 -179.8 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.5 -1.521 0 C3'-C2'-C1' 98.994 -2.647 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.519 ' C2 ' ' C6 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.09 0 C3'-C2'-C1' 99.538 -2.259 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.519 ' C6 ' ' C2 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-C2' 103.782 -2.107 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.431 ' H71' " C2'" ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.011 0 O4'-C1'-C2' 104.015 -1.896 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.589 ' C2 ' ' N7 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 99.435 -2.332 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.668 " C2'" ' H71' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.063 0 C3'-C2'-C1' 100.093 -1.862 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.668 ' H71' " C2'" ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.76 0 C3'-C2'-C1' 99.737 -2.116 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . 0.442 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.028 0 C3'-C2'-C1' 98.9 -2.714 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.442 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.785 0 C3'-C2'-C1' 99.457 -2.316 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.457 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.596 -0.94 0 C3'-C2'-C1' 98.687 -2.866 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.457 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.916 0 O4'-C1'-C2' 104.028 -1.883 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.665 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.502 -1.374 0 C3'-C2'-C1' 98.628 -2.908 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.616 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.578 -2.375 0 C3'-C2'-C1' 99.983 -1.941 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.79 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C3'-C2'-C1' 99.171 -2.521 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.467 ' P ' HD21 ' B' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 104.202 -1.725 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.054 0 C3'-C2'-C1' 100.206 -1.781 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.412 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.503 -1.285 0 O4'-C1'-C2' 104.034 -1.878 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.412 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.207 0 C3'-C2'-C1' 99.445 -2.325 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.256 0 C3'-C2'-C1' 99.747 -2.109 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.511 -0.699 0 O4'-C1'-C2' 103.875 -2.023 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.511 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.076 0 C3'-C2'-C1' 99.572 -2.234 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.511 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.947 0 C3'-C2'-C1' 99.144 -2.54 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.484 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.159 0 C3'-C2'-C1' 99.219 -2.486 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.502 -1.357 0 C3'-C2'-C1' 100.808 -1.352 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C5'-C4'-C3' 116.987 1.525 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.529 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C5'-C4'-C3' 116.84 1.427 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.544 ' C6 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-C2' 107.054 0.868 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.544 ' H72' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.53 1.247 0 C3'-C2'-C1' 105.183 1.773 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.44 ' C8 ' ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.811 0 C4'-C3'-C2' 104.254 1.054 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.44 ' H72' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 N19-C1'-C2' 112.851 -0.843 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.441 H2'' " O5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C5'-C4'-C3' 116.342 1.094 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.541 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.616 0.778 0 C3'-C2'-C1' 104.447 1.248 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.541 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C3'-C2'-C1' 104.014 0.939 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.679 H2'' ' C5 ' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C3'-C2'-C1' 105.149 1.749 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.679 ' C5 ' H2'' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.956 0 C5'-C4'-O4' 106.677 -1.702 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.557 ' C5 ' ' C4 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 C3'-C2'-C1' 100.92 -1.271 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.622 " H5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 C3'-C2'-C1' 105.486 1.99 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.632 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 104.43 1.236 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.632 ' C6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.93 0 C3'-C2'-C1' 105.418 1.941 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.496 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 102.496 -0.704 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.496 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.83 0 C5'-C4'-O4' 108.276 -0.703 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.582 ' C2 ' ' C4 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 N19-C1'-C2' 112.804 -0.872 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.582 ' C4 ' ' C2 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.971 0 O4'-C1'-C2' 105.435 -0.604 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.488 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 C1'-O4'-C4' 110.516 0.583 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.401 " H5'" " H1'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.407 -0.971 0 C4'-C3'-C2' 104.68 1.48 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 107.291 1.083 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttt . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.828 0.347 . . . . 6.94 110.421 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 3' ' ' PRO . 8.3 tmtt? -101.32 114.68 65.7 Favored Pre-proline 0 N--CA 1.443 -0.787 0 N-CA-C 109.093 -0.706 . . . . 5.85 109.093 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.409 ' O ' ' HD3' ' A' ' 2' ' ' LYS . 21.3 Cg_endo -60.03 152.23 66.55 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.154 1.903 . . . . 1.9 111.336 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 18.0 t -101.58 171.72 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 107.629 -1.249 . . . . 0.99 107.629 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 9' ' ' VAL . 7.1 p -134.18 162.13 32.99 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 109.158 -0.682 . . . . 0.72 109.158 -178.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.515 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -63.74 -16.47 61.23 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.47 -0.567 . . . . 0.66 109.47 177.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -79.31 -39.33 33.12 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.077 -0.51 . . . . 0.68 110.086 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.65 -37.55 84.45 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 107.998 -1.112 . . . . 1.86 107.998 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 5' ' ' THR . 29.6 t -67.02 -49.04 77.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-N 112.753 -2.021 . . . . 0.66 109.437 178.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -59.52 -42.66 92.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.388 -0.824 . . . . 0.65 110.781 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.53 -50.42 67.39 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.523 -0.762 . . . . 2.41 111.167 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.609 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 57.8 t80 -67.67 -24.02 65.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.89 0.376 . . . . 1.68 111.509 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.467 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -90.72 -18.88 24.25 Favored 'General case' 0 N--CA 1.434 -1.232 0 C-N-CA 120.615 -0.434 . . . . 0.71 110.35 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.38 38.82 27.95 Favored Glycine 0 N--CA 1.439 -1.101 0 N-CA-C 110.344 -1.102 . . . . 0.68 110.344 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.467 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.3 m -135.43 -175.06 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 115.022 -0.589 . . . . 0.62 109.752 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.2 m -93.82 151.49 19.56 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.468 -0.938 . . . . 1.03 108.468 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.515 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 22.3 p90 -53.33 -39.75 64.32 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.16 0.505 . . . . 1.38 110.744 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.616 ' HG2' ' N4 ' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -62.0 -28.54 69.64 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.484 -0.78 . . . . 2.08 111.091 177.516 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -69.59 -43.43 72.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.707 0.765 . . . . 0.61 109.112 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.651 ' HA ' HG11 ' A' ' 38' ' ' VAL . 78.0 t -59.76 -53.44 48.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 114.79 -1.095 . . . . 0.65 111.161 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 t -64.89 -23.94 67.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.163 -0.471 . . . . 1.22 110.703 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 11.5 ttp180 -72.83 -30.29 63.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.927 -0.768 . . . . 2.65 108.927 178.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.45 HG13 ' HG2' ' A' ' 35' ' ' ARG . 43.4 t -80.72 -42.45 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 CA-C-N 115.305 -0.861 . . . . 0.92 110.364 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 20' ' ' VAL . 23.5 t -67.05 -52.16 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.418 -0.81 . . . . 0.94 112.623 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.477 HD21 ' P ' ' D' ' 14' ' ' ' DT' . 60.8 m-20 -75.75 -37.5 59.27 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 113.291 0.849 . . . . 1.24 113.291 -178.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 54.4 mm-40 -131.68 -114.15 0.23 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.531 -0.468 . . . . 4.46 111.663 -174.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 158.25 -32.92 0.0 OUTLIER 'General case' 0 C--N 1.346 0.441 0 O-C-N 124.379 1.049 . . . . 2.66 110.866 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.87 151.59 46.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.971 -0.559 . . . . 2.08 109.536 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.6 m170 69.13 21.89 7.06 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 109.33 -0.619 . . . . 1.63 109.33 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.482 HG22 ' HE ' ' A' ' 22' ' ' ARG . 34.0 t -137.6 130.81 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.248 -0.887 . . . . 1.05 109.408 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -81.11 152.61 27.73 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.425 0.631 . . . . 1.29 110.088 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.13 69.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.627 -0.715 . . . . 1.09 110.819 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -51.75 -46.54 64.11 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.561 -0.745 . . . . 3.08 111.388 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -81.25 -39.61 25.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.135 0.493 . . . . 0.98 111.807 -179.134 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.45 ' HG2' HG13 ' A' ' 23' ' ' VAL . 5.5 ttp180 -53.64 -57.4 10.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.2 0.524 . . . . 3.63 111.706 -178.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -67.52 -19.01 65.25 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.5 -0.773 . . . . 1.72 111.958 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -87.01 -28.45 22.63 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.61 -0.436 . . . . 1.44 109.937 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.651 HG11 ' HA ' ' A' ' 20' ' ' VAL . 70.6 t -78.21 -43.2 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.66 -0.496 . . . . 0.68 109.66 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -60.73 -35.48 76.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.526 -0.761 . . . . 1.7 109.205 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -68.04 -37.42 81.32 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.237 -0.892 . . . . 0.78 110.826 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.32 87.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.862 -0.608 . . . . 0.79 110.796 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 18.7 mtt -66.06 -27.16 67.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 0.87 112.29 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.46 -32.64 42.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.971 0.891 . . . . 0.93 109.259 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.609 ' HG3' ' CE2' ' A' ' 12' ' ' TYR . 38.0 mm-40 -69.42 -59.64 2.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.119 -1.4 . . . . 1.55 112.058 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.15 -8.81 59.66 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.016 -1.447 . . . . 1.79 112.736 -177.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.519 ' O ' HD13 ' A' ' 48' ' ' ILE . 83.6 m-20 61.31 56.95 2.52 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.238 0.542 . . . . 2.2 110.082 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.554 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 13.8 t80 -72.38 123.61 23.4 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.05 -0.523 . . . . 1.38 110.618 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -112.63 116.2 48.31 Favored Pre-proline 0 N--CA 1.434 -1.268 0 N-CA-C 109.321 -0.622 . . . . 1.39 109.321 178.286 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.442 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 47.4 Cg_exo -57.02 116.77 3.44 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.364 2.709 . . . . 0.78 112.7 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -76.54 95.93 4.0 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.012 0.434 . . . . 0.69 110.585 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' A' ' 49' ' ' PRO . 5.2 mpt_? -58.23 -25.86 62.19 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.404 -0.816 . . . . 4.2 111.216 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -43.02 85.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.898 0.856 . . . . 0.7 109.603 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.636 ' HB3' " C5'" ' D' ' 13' ' ' ' DC' . . . -71.81 -37.85 70.3 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.781 -1.099 . . . . 0.53 109.308 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.489 ' OE1' ' HE3' ' A' ' 59' ' ' LYS . 9.0 tt0 -59.89 -40.15 87.75 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.027 0.829 . . . . 1.67 109.705 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -68.25 -39.52 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.297 -0.865 . . . . 2.66 109.394 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.77 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 10.0 tp -58.88 -51.81 68.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.231 0.539 . . . . 0.61 111.205 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.99 -13.38 61.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.363 -0.835 . . . . 0.85 112.123 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.76 117.12 3.18 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.908 -0.663 . . . . 1.86 111.544 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -78.43 104.91 9.34 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.104 -0.638 . . . . 6.17 111.06 -179.011 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.463 HE21 " C3'" ' D' ' 14' ' ' ' DT' . 0.0 OUTLIER -84.8 179.54 7.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.853 -0.612 . . . . 6.76 109.56 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 m 63.29 52.19 2.49 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.772 0.67 . . . . 7.52 110.811 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 tp . . . . . 0 C--O 1.252 1.188 0 CA-C-N 116.136 -0.484 . . . . 9.27 110.227 179.225 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.2 ttp . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 120.947 0.403 . . . . 6.54 110.357 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -142.92 112.89 5.79 Favored Pre-proline 0 C--O 1.238 0.461 0 CA-C-O 121.164 0.506 . . . . 5.5 110.773 -178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -70.76 129.4 16.48 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.898 2.399 . . . . 1.75 110.887 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.69 HG21 ' O ' ' B' ' 45' ' ' LEU . 20.9 t -68.61 167.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 N-CA-C 108.632 -0.877 . . . . 0.83 108.632 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.671 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 24.3 p -130.84 155.96 45.84 Favored 'General case' 0 N--CA 1.432 -1.336 0 O-C-N 121.832 -0.542 . . . . 0.68 110.645 -176.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.833 HD23 ' CE1' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -52.2 -28.96 20.3 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 123.554 0.534 . . . . 0.66 111.324 177.285 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.546 ' HE2' " H2'" ' C' ' 12' ' ' ' DG' . 43.4 m-85 -69.01 -37.77 78.88 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.504 -0.316 . . . . 1.22 110.889 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.19 -37.15 86.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.595 -0.52 . . . . 1.45 109.595 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.712 ' HA ' HD23 ' B' ' 45' ' ' LEU . 28.2 t -69.24 -46.37 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.707 -0.679 . . . . 0.55 109.591 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.577 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -54.28 -57.37 11.48 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.89 -1.05 . . . . 0.63 111.572 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -47.71 79.09 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.933 -1.03 . . . . 2.46 112.337 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.631 ' CB ' HD21 ' B' ' 45' ' ' LEU . 27.7 t80 -64.02 -50.48 68.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.514 -0.767 . . . . 1.39 112.489 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.413 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -65.76 -25.08 67.11 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.296 -0.411 . . . . 0.69 111.979 -178.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.48 43.69 10.15 Favored Glycine 0 N--CA 1.438 -1.19 0 C-N-CA 120.085 -1.055 . . . . 1.09 111.614 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.71 165.31 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 N-CA-C 107.912 -1.144 . . . . 0.62 107.912 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.469 ' OG ' " H2'" ' D' ' 5' ' ' ' DG' . 5.2 m -70.1 159.23 34.27 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.918 -1.142 . . . . 1.31 107.918 176.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.833 ' CE1' HD23 ' B' ' 6' ' ' LEU . 37.9 t80 -58.62 -50.17 74.81 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-O 120.808 0.337 . . . . 1.58 111.325 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -50.65 -38.33 45.7 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.758 0.423 . . . . 0.89 110.745 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.607 ' O ' HG23 ' B' ' 23' ' ' VAL . 20.7 m -54.73 -41.63 70.62 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.401 1.063 . . . . 0.64 111.657 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.577 HG21 ' HB2' ' B' ' 10' ' ' ALA . 22.0 t -66.19 -52.05 52.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 115.089 -0.959 . . . . 1.17 110.171 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.472 ' OG ' ' H71' ' C' ' 14' ' ' ' DT' . 52.8 m -54.15 -47.44 71.95 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 107.698 -1.223 . . . . 1.13 107.698 176.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.461 ' HD2' HG22 ' B' ' 30' ' ' VAL . 8.0 ttm180 -51.96 -37.89 54.58 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.411 -1.268 . . . . 2.87 112.094 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.607 HG23 ' O ' ' B' ' 19' ' ' THR . 87.2 t -76.7 -40.84 33.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.114 0.483 . . . . 0.86 110.832 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.68 -31.02 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.32 -0.855 . . . . 1.03 110.705 -178.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -92.07 -1.08 57.4 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.426 -0.806 . . . . 1.25 109.885 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 51.05 42.05 28.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 123.874 0.734 . . . . 3.75 109.803 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.27 -178.43 6.6 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.243 -0.89 . . . . 2.36 111.225 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -91.17 178.04 6.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.485 -0.78 . . . . 1.96 112.191 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.445 ' HA ' ' OP2' ' D' ' 3' ' ' ' DT' . 94.3 m-70 62.67 45.87 5.71 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 114.566 -1.197 . . . . 1.34 110.594 -178.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.461 HG22 ' HD2' ' B' ' 22' ' ' ARG . 21.3 t -135.86 116.24 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.867 -0.606 . . . . 1.1 110.416 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.681 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 32.3 m -61.53 156.51 19.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 123.763 0.665 . . . . 0.98 110.172 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.58 68.76 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 122.418 -0.176 . . . . 1.12 111.311 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -55.7 -52.07 65.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 3.25 111.288 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.681 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -55.5 -39.04 69.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.805 -0.634 . . . . 0.77 111.382 179.179 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -70.58 -46.48 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.068 0.461 . . . . 3.59 110.627 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -67.93 -26.39 65.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.959 -0.564 . . . . 1.96 111.474 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.413 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 0.5 OUTLIER -68.26 -47.64 67.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.02 -0.536 . . . . 1.91 110.18 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' B' ' 42' ' ' MET . 94.7 t -66.38 -38.79 82.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 115.248 -0.887 . . . . 0.62 111.0 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -65.71 -34.89 79.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.034 -0.53 . . . . 1.68 109.576 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.74 -44.1 64.68 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.583 0.706 . . . . 0.77 110.593 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' B' ' 45' ' ' LEU . . . -56.62 -29.52 62.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.06 -0.973 . . . . 0.65 110.985 178.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.526 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 44.6 mtt -64.12 -20.62 66.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.003 -0.544 . . . . 0.71 109.861 179.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.7 -52.84 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.397 -0.365 . . . . 0.9 110.857 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -36.89 79.35 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 122.249 1.023 . . . . 1.58 110.25 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.712 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.0 OUTLIER -82.0 -17.9 45.25 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.567 -1.197 . . . . 1.14 112.255 178.871 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.54 43.44 5.85 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.969 -1.123 . . . . 1.24 107.969 -175.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.624 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.1 t80 -54.85 125.23 19.32 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.474 -1.239 . . . . 1.46 110.362 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.4 mm -140.64 98.85 7.03 Favored Pre-proline 0 N--CA 1.444 -0.751 0 N-CA-C 102.542 -3.133 . . . . 1.34 102.542 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.603 ' HB2' ' HB2' ' B' ' 62' ' ' LEU . 43.0 Cg_exo -34.51 131.33 0.18 Allowed 'Trans proline' 0 N--CA 1.479 0.655 0 C-N-CA 124.203 3.268 . . . . 0.72 115.495 -175.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -59.97 88.34 0.01 OUTLIER 'General case' 0 C--N 1.343 0.284 0 CA-C-N 114.585 -1.189 . . . . 0.85 110.338 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.494 ' HD2' ' NE2' ' B' ' 60' ' ' GLN . 21.3 tpt180 -47.69 -33.43 6.89 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.738 0.644 . . . . 4.55 112.738 -178.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.55 -60.95 1.96 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.614 -0.721 . . . . 0.73 111.901 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.87 -34.04 75.91 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.825 -0.625 . . . . 0.64 111.828 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -65.55 -31.86 73.14 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.61 0.596 . . . . 1.04 112.61 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.493 ' HG3' ' NE2' ' B' ' 60' ' ' GLN . 43.2 mt-30 -81.52 -24.54 36.57 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.658 -0.867 . . . . 2.45 108.658 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.681 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.5 tp -71.63 -48.46 47.75 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.075 -0.966 . . . . 0.65 111.084 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.7 -67.35 0.34 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 120.253 -0.579 . . . . 1.07 110.002 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 178.2 -48.86 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 118.192 -1.956 . . . . 1.6 112.046 174.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.31 144.82 32.45 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.606 0.717 . . . . 5.04 112.099 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.494 ' NE2' ' HD2' ' B' ' 51' ' ' ARG . 7.2 tp-100 -104.85 135.97 45.23 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.594 -0.73 . . . . 6.57 110.459 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.9 -25.78 12.46 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.151 -0.685 . . . . 6.55 109.151 178.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.603 ' HB2' ' HB2' ' B' ' 49' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.245 0.853 0 CA-C-N 114.991 -1.004 . . . . 8.33 109.441 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . 0.458 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.289 0 C3'-C2'-C1' 99.3 -2.429 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.458 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.505 -1.12 0 C3'-C2'-C1' 99.737 -2.116 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.436 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.453 0.609 0 O4'-C1'-C2' 103.368 -2.484 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.436 " H5'" " H1'" ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.421 -1.169 0 C3'-C2'-C1' 99.905 -1.997 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.539 ' C2 ' ' C5 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 P--O3' 1.596 -0.91 0 C3'-C2'-C1' 99.466 -2.31 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.539 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.178 0 C3'-C2'-C1' 100.205 -1.782 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.44 ' O4 ' ' HG3' ' A' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.511 -0.718 0 C3'-C2'-C1' 99.595 -2.218 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.781 0 C3'-C2'-C1' 99.059 -2.601 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.146 0 O4'-C1'-C2' 103.833 -2.061 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C3'-C2'-C1' 98.66 -2.886 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.759 0 C5'-C4'-C3' 117.804 2.069 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.77 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.499 -1.546 0 C3'-C2'-C1' 98.801 -2.785 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.671 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.582 -2.075 0 O4'-C1'-C2' 104.127 -1.794 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.545 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 P--O3' 1.597 -0.843 0 C3'-C2'-C1' 99.949 -1.965 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.472 ' H71' ' OG ' ' B' ' 21' ' ' SER . . . . . . . . 0 P--O3' 1.594 -1.048 0 C3'-C2'-C1' 100.17 -1.807 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.887 0 O4'-C1'-C2' 104.069 -1.846 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.5 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.865 0 C3'-C2'-C1' 99.598 -2.216 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.5 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.167 0 C5'-C4'-C3' 117.516 1.877 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.467 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.905 0 C3'-C2'-C1' 99.515 -2.275 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.797 0 O4'-C1'-C2' 103.832 -2.062 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C3'-C2'-C1' 99.925 -1.982 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.423 H2'' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 C3'-C2'-C1' 99.762 -2.098 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.423 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C3'-C2'-C1' 99.697 -2.145 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.938 0 C3'-C2'-C1' 100.83 -1.335 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.662 0 O4'-C1'-C2' 107.174 0.977 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.479 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 107.768 1.516 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.479 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.662 0 C5'-C4'-C3' 116.275 1.05 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.55 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.527 0.911 0 C3'-C2'-C1' 105.092 1.708 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.579 ' C8 ' ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.893 0 C5'-C4'-C3' 116.996 1.53 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.579 ' H72' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 O4'-C1'-C2' 107.157 0.961 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.538 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.823 0 O4'-C1'-C2' 107.54 1.309 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.538 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.054 0 C5'-C4'-C3' 115.976 0.851 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.496 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.513 -0.56 0 C5'-C4'-O4' 108.406 -0.621 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.483 ' C6 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.44 0.688 0 C5'-C4'-O4' 107.283 -1.323 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.622 1.289 0 O4'-C1'-C2' 108.151 1.864 . . . . 1.5 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.681 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C3'-C2'-C1' 99.654 -2.175 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.636 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.077 0 C5'-C4'-C3' 116.303 1.069 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.477 ' P ' HD21 ' A' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 O4'-C4'-C3' 106.682 1.082 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.616 ' N4 ' ' HG2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C3'-C2'-C1' 104.974 1.624 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.493 " H5'" " H1'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C1'-O4'-C4' 110.729 0.735 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.444 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 1.009 0 C3'-C2'-C1' 103.853 0.824 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.435 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 C3'-C2'-C1' 104.392 1.208 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.435 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.847 0 O3'-P-O5' 102.458 -0.812 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.409 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.42 -1.266 0 O4'-C1'-C2' 107.113 0.921 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.527 0.905 0 C3'-C2'-C1' 104.827 1.52 . . . . 1.8 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.53 0.673 0 O4'-C1'-C2' 107.158 0.962 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.267 -0.271 . . . . 6.94 110.267 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -87.97 115.43 63.06 Favored Pre-proline 0 N--CA 1.451 -0.413 0 CA-C-N 116.066 -0.516 . . . . 5.85 110.671 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.42 -172.17 1.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.132 1.888 . . . . 1.9 111.961 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.512 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 67.4 t -129.94 131.55 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 107.248 -1.39 . . . . 0.99 107.248 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.614 HG21 ' OP1' ' D' ' 12' ' ' ' DG' . 4.0 p -83.49 161.76 21.15 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 112.262 0.467 . . . . 0.72 112.262 -178.29 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.559 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.4 pt? -65.41 -15.93 63.1 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.65 -0.705 . . . . 0.66 109.538 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -75.33 -42.56 54.1 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.705 -0.68 . . . . 0.68 109.443 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.12 -39.63 86.9 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.878 1.323 . . . . 1.86 107.538 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 5' ' ' THR . 32.5 t -65.22 -46.19 91.53 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 CA-C-N 112.462 -2.154 . . . . 0.66 109.538 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.6 96.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.715 -1.13 . . . . 0.65 111.647 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -63.26 -50.96 68.09 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.329 0.585 . . . . 2.41 111.086 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CD2' HD21 ' A' ' 45' ' ' LEU . 25.8 t80 -65.96 -25.78 67.27 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.423 0.527 . . . . 1.68 112.423 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.589 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.93 -25.84 25.88 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.016 -0.735 . . . . 0.71 109.016 -178.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.57 41.24 7.4 Favored Glycine 0 CA--C 1.501 -0.793 0 N-CA-C 109.975 -1.25 . . . . 0.68 109.975 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.589 HG22 ' HB3' ' A' ' 13' ' ' ALA . 33.9 m -141.31 -167.01 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 114.482 -0.859 . . . . 0.62 110.334 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -106.9 151.84 24.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 1.03 109.874 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.559 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 42.4 p90 -49.72 -44.39 48.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.86 -0.609 . . . . 1.38 111.022 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HG2' ' H41' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -63.81 -28.27 69.75 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 111.933 0.346 . . . . 2.08 111.933 176.639 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -68.12 -42.75 79.76 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 107.842 -1.17 . . . . 0.61 107.842 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.597 ' HA ' HG11 ' A' ' 38' ' ' VAL . 87.9 t -58.86 -50.95 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 114.952 -1.022 . . . . 0.65 111.708 177.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.5 t -64.71 -25.2 67.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.32 0.581 . . . . 1.22 110.563 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.482 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 5.7 ttp180 -69.77 -29.62 67.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.703 -0.68 . . . . 2.65 109.326 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.2 t -86.0 -48.82 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 121.136 0.494 . . . . 0.92 110.844 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.1 t -56.01 -47.06 80.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.616 -0.72 . . . . 0.94 112.762 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.521 ' C ' ' HG2' ' A' ' 26' ' ' GLN . 76.9 m-20 -97.01 -10.53 26.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 114.019 1.118 . . . . 1.24 114.019 -178.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.521 ' HG2' ' C ' ' A' ' 25' ' ' ASN . 2.2 mm-40 -142.68 -117.55 0.1 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.862 0.755 . . . . 4.46 110.659 -177.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 163.27 -37.65 0.0 OUTLIER 'General case' 0 C--O 1.234 0.255 0 O-C-N 124.464 1.103 . . . . 2.66 110.565 -177.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 7.1 m -74.5 157.4 35.6 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.01 -0.995 . . . . 2.08 110.702 -178.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.441 ' O ' ' H71' ' C' ' 4' ' ' ' DT' . 57.5 m170 71.08 16.64 6.33 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.856 0.836 . . . . 1.63 109.67 -178.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -132.8 126.26 53.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 CA-C-N 114.913 -1.04 . . . . 1.05 108.325 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 p -61.78 152.25 31.92 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.754 -0.832 . . . . 1.29 108.754 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.88 -6.18 25.64 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.92 -0.582 . . . . 1.09 111.633 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 33' ' ' LYS . 11.6 ttpt -90.85 -45.25 8.9 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.216 -1.031 . . . . 3.08 108.216 -177.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.546 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.9 p -77.29 -24.61 50.95 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.676 -0.693 . . . . 0.98 112.416 -178.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -58.54 -54.86 42.27 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 120.086 -0.646 . . . . 3.63 110.585 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.68 -26.16 68.54 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 113.554 0.946 . . . . 1.72 113.554 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.546 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -85.96 -24.81 26.37 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 119.945 -0.702 . . . . 1.44 110.563 -178.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' ' 20' ' ' VAL . 58.6 t -75.79 -38.59 37.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 107.038 -1.467 . . . . 0.68 107.038 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -71.81 -2.71 18.67 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 113.922 -1.49 . . . . 1.7 108.485 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -96.57 -45.11 6.86 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.001 -1.481 . . . . 0.78 107.001 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.39 84.07 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 113.565 -1.652 . . . . 0.79 112.031 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.8 mtt -58.18 -30.9 66.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.372 -0.376 . . . . 0.87 111.787 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.88 -37.87 23.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.383 0.611 . . . . 0.93 109.747 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 32.3 mm-40 -62.07 -56.92 14.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.668 -1.151 . . . . 1.55 112.079 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.534 HD21 ' CD2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -88.11 -11.64 46.41 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.888 -1.505 . . . . 1.79 111.841 -177.852 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 66.81 69.26 0.41 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.158 -0.682 . . . . 2.2 109.158 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.512 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.9 t80 -82.54 125.17 30.83 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 123.592 0.757 . . . . 1.38 112.112 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 118.9 22.85 Favored Pre-proline 0 N--CA 1.454 -0.271 0 N-CA-C 108.737 -0.838 . . . . 1.39 108.737 176.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.3 129.12 32.46 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.385 2.056 . . . . 0.78 112.592 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -77.14 113.14 14.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.69 110.954 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 51' ' ' ARG . 29.4 mmt180 -63.32 -35.94 82.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.732 -0.667 . . . . 4.2 112.327 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -66.57 -44.6 81.85 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 122.278 -0.264 . . . . 0.7 110.47 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.532 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -57.73 -49.24 77.22 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.482 -0.562 . . . . 0.53 109.482 177.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.401 ' OE1' ' HD3' ' A' ' 51' ' ' ARG . 96.5 mt-30 -55.43 -41.79 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.046 -0.979 . . . . 1.67 110.336 177.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.547 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 25.2 mt-30 -74.09 -21.01 60.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.492 -0.776 . . . . 2.66 112.363 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.685 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 10.4 tp -87.91 -46.32 9.5 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 109.211 -0.662 . . . . 0.61 109.211 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.62 -59.18 4.93 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.549 -1.205 . . . . 0.85 110.525 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -126.87 -81.0 0.35 Allowed Glycine 0 CA--C 1.505 -0.575 0 C-N-CA 117.154 -2.45 . . . . 1.86 115.3 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.547 ' O ' ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -73.38 102.5 3.76 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 111.967 0.358 . . . . 6.17 111.967 -176.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 55' ' ' GLN . 3.7 tt0 -81.26 138.29 35.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 6.76 111.59 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 m 64.23 20.42 12.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.187 -0.915 . . . . 7.52 112.046 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.67 -0.681 . . . . 9.27 109.869 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.804 0.335 . . . . 6.54 110.707 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.54 82.92 50.26 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.602 -0.726 . . . . 5.5 110.397 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.17 149.69 58.38 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.267 2.645 . . . . 1.75 112.406 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.638 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 69.3 t -138.28 161.72 31.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 C-N-CA 120.813 -0.355 . . . . 0.83 110.831 -178.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.688 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 43.1 p -132.36 159.35 39.46 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 119.2 -0.429 . . . . 0.68 110.93 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.756 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.4 OUTLIER -52.87 -27.15 17.18 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.48 0.487 . . . . 0.66 112.036 177.107 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.658 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 11.6 m-85 -71.34 -29.39 64.93 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.5 0.666 . . . . 1.22 111.374 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -76.93 -35.07 57.57 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.63 -0.714 . . . . 1.45 109.529 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.623 ' HA ' HD23 ' B' ' 45' ' ' LEU . 57.9 t -68.51 -43.58 83.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 115.21 -0.905 . . . . 0.55 110.694 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.13 74.96 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.656 -0.702 . . . . 0.63 111.022 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.32 -48.28 81.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.095 -0.957 . . . . 2.46 111.293 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.585 ' CB ' HD21 ' B' ' 45' ' ' LEU . 17.9 t80 -64.38 -53.93 40.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 113.172 0.805 . . . . 1.39 113.172 -178.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.985 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -63.9 -27.45 69.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.373 0.606 . . . . 0.69 110.333 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.24 50.72 3.76 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.25 -0.74 . . . . 1.09 111.25 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 22.8 m -140.55 159.93 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 109.121 -0.696 . . . . 0.62 109.121 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.448 ' O ' ' HB ' ' B' ' 19' ' ' THR . 66.4 m -67.93 154.55 41.34 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.41 -0.589 . . . . 1.31 109.41 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.561 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -59.71 -39.09 83.48 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.959 -0.386 . . . . 1.58 109.959 -178.663 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -56.34 -38.66 71.65 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 110.02 -0.363 . . . . 0.89 110.02 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' B' ' 16' ' ' SER . 94.0 m -55.13 -38.17 67.87 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.599 -0.728 . . . . 0.64 111.22 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.63 HG11 ' HG ' ' B' ' 6' ' ' LEU . 8.8 t -66.12 -47.85 83.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.875 -0.602 . . . . 1.17 109.85 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.454 ' CB ' ' H73' ' C' ' 14' ' ' ' DT' . 12.7 t -52.02 -50.11 62.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.415 -1.328 . . . . 1.13 107.415 175.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' B' ' 22' ' ' ARG . 29.1 mtm180 -53.16 -39.99 63.97 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 114.768 -1.106 . . . . 2.87 112.192 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -75.8 -42.15 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.86 110.66 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.51 -40.4 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.47 0.653 . . . . 1.03 110.692 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -81.99 -4.22 56.22 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.381 -0.827 . . . . 1.25 111.452 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.456 ' OE1' ' HD3' ' B' ' 35' ' ' ARG . 3.7 mm100 52.5 39.8 28.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.243 0.544 . . . . 3.75 109.818 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.37 174.1 11.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.951 -1.022 . . . . 2.36 111.437 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 15.1 m -84.23 173.42 11.02 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.317 -0.856 . . . . 1.96 110.944 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' B' ' 28' ' ' SER . 56.3 m170 71.92 30.18 2.29 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.371 0.668 . . . . 1.34 111.295 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.44 123.67 66.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.189 -0.46 . . . . 1.1 110.104 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.532 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 53.4 m -67.81 154.85 40.65 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 123.776 0.673 . . . . 0.98 109.567 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.02 -48.17 83.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.062 0.458 . . . . 1.12 111.385 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -59.45 -54.19 49.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.569 -0.741 . . . . 3.25 110.957 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.3 OUTLIER -55.5 -34.22 64.42 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.79 -0.641 . . . . 0.77 111.225 178.861 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.456 ' HD3' ' OE1' ' B' ' 26' ' ' GLN . 8.5 ttm180 -67.69 -56.33 9.72 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 120.873 0.368 . . . . 3.59 111.126 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -61.47 -28.97 69.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.933 -0.576 . . . . 1.96 111.082 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.985 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 18.7 ttmm -63.1 -40.26 97.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.319 -0.855 . . . . 1.91 110.746 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' B' ' 42' ' ' MET . 93.5 t -75.82 -39.19 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 115.314 -0.857 . . . . 0.62 110.163 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.29 -38.28 90.56 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.552 -0.536 . . . . 1.68 109.552 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.26 -47.43 67.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.026 -0.534 . . . . 0.77 111.311 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.88 -28.71 24.33 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.952 -0.567 . . . . 0.65 111.429 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.602 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 44.5 mtt -64.11 -20.91 66.3 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.462 -0.79 . . . . 0.71 110.428 -178.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.68 -49.11 7.06 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 112.236 0.458 . . . . 0.9 112.236 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.3 -47.38 83.86 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.546 -0.752 . . . . 1.58 110.509 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.0 OUTLIER -72.91 -22.78 60.68 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.425 -1.261 . . . . 1.14 112.501 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.415 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.2 OUTLIER 67.61 40.36 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.195 -1.409 . . . . 1.24 107.195 -175.266 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.638 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.8 t80 -49.72 116.92 1.98 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 114.851 -1.068 . . . . 1.46 111.181 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 46' ' ' ASN . 42.6 mm -130.81 99.03 18.72 Favored Pre-proline 0 N--CA 1.44 -0.966 0 N-CA-C 103.284 -2.858 . . . . 1.34 103.284 177.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.48 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 3.5 Cg_exo -30.45 127.08 0.07 OUTLIER 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 125.047 3.831 . . . . 0.72 116.513 -175.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.464 ' HB2' HG22 ' B' ' 5' ' ' THR . 55.5 t-20 -66.55 79.05 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.594 -1.185 . . . . 0.85 111.181 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.484 ' NH1' ' HG2' ' B' ' 55' ' ' GLN . 3.0 mmp_? -48.39 -31.22 5.88 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 114.05 1.13 . . . . 4.55 114.05 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 3.5 m -67.36 -57.91 5.74 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.598 0.713 . . . . 0.73 110.378 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.86 71.62 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.882 -0.599 . . . . 0.64 110.758 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.48 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 20.2 mt-30 -66.8 -21.67 66.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.84 -0.618 . . . . 1.04 111.946 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.484 ' HG2' ' NH1' ' B' ' 51' ' ' ARG . 1.6 mm100 -92.84 -24.3 18.54 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 121.894 -0.504 . . . . 2.45 110.185 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' B' ' 56' ' ' LEU . 2.7 tp -79.07 -38.56 36.06 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.281 -1.007 . . . . 0.65 108.281 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.516 ' CB ' ' H21' ' C' ' 12' ' ' ' DG' . . . -82.61 0.83 41.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.433 -0.803 . . . . 1.07 111.664 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.36 -55.29 3.66 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-O 119.481 -0.622 . . . . 1.6 114.633 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 72.6 134.55 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.699 0.8 . . . . 5.04 110.189 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -104.51 168.86 8.81 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.014 0.435 . . . . 6.57 111.072 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 71.2 m -136.26 -40.34 0.66 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.888 0.851 . . . . 6.55 109.307 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 33.4 tp . . . . . 0 C--O 1.25 1.084 0 CA-C-N 114.752 -1.113 . . . . 8.33 108.417 179.767 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . 0.418 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.498 -1.66 0 C3'-C2'-C1' 99.309 -2.422 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.42 H2'' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.089 0 C3'-C2'-C1' 99.569 -2.236 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.42 ' C8 ' H2'' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 O4'-C1'-C2' 103.814 -2.078 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.517 ' C5 ' ' H73' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O4'-C1'-C2' 103.653 -2.224 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.517 ' H73' ' C5 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.789 0 C3'-C2'-C1' 99.746 -2.11 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.511 ' C2 ' ' C2 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.199 0 C3'-C2'-C1' 100.258 -1.744 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.451 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C3'-C2'-C1' 99.823 -2.055 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 C3'-C2'-C1' 99.16 -2.529 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.274 0 O4'-C1'-C2' 103.705 -2.177 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.456 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C3'-C2'-C1' 99.041 -2.614 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.456 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.797 0 O4'-C1'-C2' 103.982 -1.926 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.685 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.496 -1.754 0 C3'-C2'-C1' 99.285 -2.439 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.688 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.496 -1.752 0 O4'-C1'-C2' 103.996 -1.913 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.756 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 C5'-C4'-C3' 118.101 2.267 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.525 ' H72' ' CE1' ' B' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C3'-C2'-C1' 100.255 -1.746 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C1'-C2' 103.766 -2.122 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.468 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.206 0 O4'-C1'-C2' 104.182 -1.744 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.468 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.499 -1.537 0 C5'-C4'-C3' 117.679 1.986 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.961 0 C3'-C2'-C1' 99.895 -2.004 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.816 0 C3'-C2'-C1' 99.8 -2.071 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.594 -1.049 0 C3'-C2'-C1' 99.845 -2.039 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.408 H2'' ' C7 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.23 0 C3'-C2'-C1' 99.69 -2.15 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.408 ' C7 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.856 0 C3'-C2'-C1' 98.801 -2.785 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.934 0 C3'-C2'-C1' 99.381 -2.37 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.306 0 C4'-C3'-C2' 101.83 -1.37 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.433 " C2'" ' H71' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 107.164 0.967 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.486 ' C6 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C3'-C2'-C1' 104.157 1.041 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.656 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.088 0 C3'-C2'-C1' 105.801 2.215 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.694 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C4'-C3' 106.372 0.772 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.694 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C3'-C2'-C1' 104.385 1.204 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.52 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C5'-C4'-C3' 116.122 0.948 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.476 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C3'-C2'-C1' 104.626 1.376 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.48 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C5'-C4'-O4' 108.259 -0.713 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . 0.48 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.041 0 N19-C1'-C2' 115.892 1.058 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.434 H5'' H2'' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C5'-C4'-O4' 108.285 -0.697 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.614 ' OP1' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.531 0.715 0 C4'-C3'-C2' 102.085 -1.115 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.532 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.055 0 C5'-C4'-C3' 117.162 1.641 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.473 " H1'" " H5'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.621 1.125 0 C4'-C3'-C2' 104.394 1.194 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.561 " H1'" " H5'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.058 0 O4'-C1'-C2' 107.525 1.295 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.561 " H5'" " H1'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C4'-C3'-C2' 102.226 -0.974 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.459 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C5'-C4'-O4' 108.443 -0.598 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.511 ' C2 ' ' C2 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 C5'-C4'-C3' 116.048 0.898 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.488 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.137 0 O4'-C1'-N19 108.443 0.803 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.453 " H5'" H2'' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.593 0 O4'-C4'-C3' 104.817 -0.783 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.453 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.406 -1.113 0 C3'-C2'-C1' 104.641 1.386 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . 0.453 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C5'-C4'-C3' 116.244 1.03 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 ttt . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 121.166 0.507 . . . . 6.94 110.37 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.529 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 14.3 tppt? -113.64 -50.12 0.05 OUTLIER Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.275 -0.42 . . . . 5.85 110.89 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.529 ' HD3' ' HB3' ' A' ' 2' ' ' LYS . 66.5 Cg_endo -96.46 153.57 1.26 Allowed 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.14 1.893 . . . . 1.9 112.32 179.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.702 HG11 ' HG ' ' A' ' 45' ' ' LEU . 75.6 t -127.2 131.42 70.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 107.614 -1.254 . . . . 0.99 107.614 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 9' ' ' VAL . 4.0 p -88.05 167.08 13.99 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 113.371 0.878 . . . . 0.72 113.371 -177.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.546 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.1 pt? -67.66 -16.93 64.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.541 -1.209 . . . . 0.66 108.908 178.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -76.3 -42.14 46.3 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.745 -0.661 . . . . 0.68 109.45 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.57 -42.45 96.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.574 -1.269 . . . . 1.86 107.574 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 5' ' ' THR . 37.4 t -62.7 -46.65 95.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 112.736 -2.029 . . . . 0.66 110.017 178.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.79 -41.43 86.68 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.028 -0.987 . . . . 0.65 110.12 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.22 -48.48 67.69 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.948 -0.569 . . . . 2.41 110.331 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.582 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.4 t80 -62.17 -27.66 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.539 -0.755 . . . . 1.68 110.899 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -94.7 -19.3 20.52 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 115.551 -0.75 . . . . 0.71 111.188 -177.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.63 38.06 21.61 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.924 -0.87 . . . . 0.68 110.924 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 35.9 m -132.81 -169.23 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.84 -0.68 . . . . 0.62 110.527 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.3 p -99.9 150.43 22.39 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.223 -1.029 . . . . 1.03 108.223 177.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.546 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 44.3 p90 -48.3 -39.17 20.91 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 123.651 0.594 . . . . 1.38 110.02 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.522 ' CD ' ' H41' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -64.91 -30.77 71.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.114 -0.494 . . . . 2.08 112.129 178.216 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.425 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 53.3 m -63.95 -41.38 97.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.477 0.656 . . . . 0.61 109.477 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' ' 24' ' ' VAL . 62.0 t -58.9 -48.32 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 114.858 -1.065 . . . . 0.65 110.824 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -67.63 -25.27 65.66 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 121.09 0.471 . . . . 1.22 110.126 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -67.7 -37.03 81.73 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 109.216 -0.661 . . . . 2.65 109.216 179.324 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.3 t -81.47 -48.95 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 112.022 0.379 . . . . 0.92 112.022 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 20' ' ' VAL . 41.1 t -56.42 -44.38 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 115.912 -0.586 . . . . 0.94 111.22 -178.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -85.83 -37.04 19.63 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.326 0.862 . . . . 1.24 113.326 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.411 ' HB2' ' H ' ' A' ' 27' ' ' ALA . 37.5 mt-30 -139.31 -92.7 0.18 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.737 1.014 . . . . 4.46 113.737 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' A' ' 26' ' ' GLN . . . 102.02 120.76 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.622 1.969 . . . . 2.66 108.931 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 23.4 p 159.57 -0.59 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.561 1.172 . . . . 2.08 109.982 -177.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.616 ' HB3' ' H72' ' C' ' 3' ' ' ' DT' . 1.8 m-70 -131.9 15.66 4.75 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.504 -1.68 . . . . 1.63 106.641 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -138.29 126.36 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 114.048 -1.433 . . . . 1.05 108.703 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.455 ' H ' " H3'" ' C' ' 3' ' ' ' DT' . 12.7 p -63.26 146.66 52.95 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 123.76 0.663 . . . . 1.29 110.779 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.5 -37.83 70.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.672 . . . . 1.09 111.452 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -51.54 -45.36 62.97 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.042 -0.526 . . . . 3.08 111.301 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -89.51 -33.74 16.65 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.856 -0.611 . . . . 0.98 112.115 -179.139 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -56.76 -57.61 11.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.83 0.348 . . . . 3.63 111.767 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.99 -18.41 65.27 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.608 0.718 . . . . 1.72 110.06 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -83.55 -28.95 28.24 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.068 -0.969 . . . . 1.44 110.259 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 34' ' ' THR . 88.9 t -78.35 -40.99 25.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.267 0.556 . . . . 0.68 109.663 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.05 -32.94 71.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.277 -0.874 . . . . 1.7 109.054 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.622 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.43 -33.43 48.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.571 -1.195 . . . . 0.78 111.011 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.665 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -60.56 -42.13 95.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 0.79 109.688 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.6 mtt -57.71 -28.75 64.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.726 -1.125 . . . . 0.87 113.256 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.77 -30.26 29.05 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.643 0.735 . . . . 0.93 110.05 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.622 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 57.1 mm-40 -67.9 -58.98 3.66 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.269 -1.332 . . . . 1.55 112.503 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.702 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -88.37 -4.54 58.64 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.483 -0.781 . . . . 1.79 111.839 -179.331 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 28.1 m120 71.28 70.66 0.17 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.575 0.547 . . . . 2.2 111.721 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 17.8 t80 -84.79 127.97 34.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.689 -0.687 . . . . 1.38 111.632 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.12 106.16 36.4 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 115.958 -0.564 . . . . 1.39 109.72 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -54.69 120.92 8.89 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.889 2.392 . . . . 0.78 112.03 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -77.9 103.5 7.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.566 . . . . 0.69 110.639 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 23.0 mmt180 -66.26 -25.86 67.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.14 -0.482 . . . . 4.2 111.307 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.86 -37.94 82.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.801 -0.815 . . . . 0.7 108.801 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -76.76 -39.6 51.09 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.924 -1.035 . . . . 0.53 109.335 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -60.6 -34.52 74.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.903 -1.044 . . . . 1.67 109.917 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 51.9 mt-30 -75.89 -38.28 57.98 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.994 -0.372 . . . . 2.66 109.994 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.74 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 7.4 tp -61.14 -53.76 52.97 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.738 -0.665 . . . . 0.61 112.144 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.19 -21.45 24.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.375 -0.375 . . . . 0.85 111.883 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.19 -17.19 73.77 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.854 -0.689 . . . . 1.86 113.642 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.9 tptt 64.21 45.02 4.14 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.693 0.759 . . . . 6.17 110.597 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -85.49 60.02 5.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.908 -1.042 . . . . 6.76 110.603 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.1 7.98 44.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.868 -0.605 . . . . 7.52 111.281 -179.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.6 mt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.927 -0.559 . . . . 9.27 110.571 -179.704 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.3 tpp . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.439 0.161 . . . . 6.54 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.453 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 79.7 mttt -71.47 -57.32 4.5 Favored Pre-proline 0 N--CA 1.462 0.166 0 N-CA-C 109.407 -0.59 . . . . 5.5 109.407 179.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 40.8 Cg_endo -69.59 114.49 3.69 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 121.529 1.486 . . . . 1.75 110.577 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.707 HG21 ' O ' ' B' ' 45' ' ' LEU . 74.4 t -95.78 160.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.699 -0.482 . . . . 0.83 109.699 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.524 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 14.0 p -134.34 159.85 39.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.741 -0.663 . . . . 0.68 109.959 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.672 ' HG ' HG11 ' B' ' 20' ' ' VAL . 3.8 tt -56.46 -26.25 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.174 0.511 . . . . 0.66 109.776 177.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.563 ' CE2' " H2'" ' C' ' 12' ' ' ' DG' . 56.4 m-85 -65.55 -39.74 92.05 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.133 -0.485 . . . . 1.22 110.668 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.7 -40.1 95.96 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.827 -0.805 . . . . 1.45 108.827 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.591 ' HA ' HD23 ' B' ' 45' ' ' LEU . 38.4 t -62.99 -43.63 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 CA-C-N 114.386 -1.279 . . . . 0.55 109.507 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.746 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.58 -59.73 4.57 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.524 -0.762 . . . . 0.63 111.672 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -54.55 -51.84 63.96 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.649 -1.159 . . . . 2.46 112.136 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.567 ' CB ' HD21 ' B' ' 45' ' ' LEU . 35.1 t80 -62.1 -50.12 73.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.383 0.512 . . . . 1.39 112.383 -178.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -63.4 -21.65 66.41 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.806 -0.634 . . . . 0.69 111.36 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.48 48.57 7.96 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.437 -0.887 . . . . 1.09 111.091 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.458 HG12 HG22 ' B' ' 34' ' ' THR . 22.8 m -139.12 169.17 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 108.579 -0.897 . . . . 0.62 108.579 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 51.4 p -81.52 164.54 21.9 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.307 -0.627 . . . . 1.31 109.307 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.514 ' HE1' HD22 ' B' ' 6' ' ' LEU . 1.9 t80 -53.96 -54.34 40.27 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 123.725 0.81 . . . . 1.58 111.043 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.475 ' HG3' ' HG3' ' B' ' 22' ' ' ARG . 48.5 tp60 -54.74 -35.86 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.738 -0.665 . . . . 0.89 111.34 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -59.06 -42.74 91.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.459 0.647 . . . . 0.64 111.114 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.746 HG21 ' HB2' ' B' ' 10' ' ' ALA . 3.4 t -63.34 -48.37 87.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.162 -0.926 . . . . 1.17 110.226 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' SER . . . . . 0.478 ' OG ' ' H71' ' C' ' 14' ' ' ' DT' . 66.5 m -62.6 -46.05 90.06 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.544 -0.91 . . . . 1.13 108.544 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.57 ' HB3' ' HB2' ' B' ' 27' ' ' ALA . 6.4 mtt-85 -50.66 -45.09 57.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.005 -1.452 . . . . 2.87 111.981 178.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.8 t -76.11 -25.74 17.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-O 121.433 0.635 . . . . 0.86 110.573 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -23.83 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 115.59 -0.732 . . . . 1.03 109.689 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -103.11 -91.01 0.36 Allowed 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 116.078 -0.51 . . . . 1.25 111.596 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -165.94 52.08 0.09 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.87 0.693 . . . . 3.75 112.87 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.57 ' HB2' ' HB3' ' B' ' 22' ' ' ARG . . . -65.98 110.13 2.8 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.876 0.695 . . . . 2.36 112.876 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.5 m -72.51 -52.47 15.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.243 -0.89 . . . . 1.96 112.609 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -88.22 67.6 8.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.49 0.662 . . . . 1.34 111.791 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 37.7 t -143.58 141.72 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.542 -1.281 . . . . 1.1 107.542 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -66.5 151.22 47.68 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.852 -0.339 . . . . 0.98 110.119 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.15 98.01 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.075 -0.25 . . . . 1.12 111.318 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -52.79 -55.77 20.52 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.822 0.344 . . . . 3.25 111.471 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.505 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -57.8 -37.29 73.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.643 -0.708 . . . . 0.77 111.833 -178.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -66.82 -49.1 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.971 0.415 . . . . 3.59 110.801 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -64.85 -34.94 79.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.806 -0.634 . . . . 1.96 111.283 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' B' ' 13' ' ' ALA . 4.0 tppp? -63.11 -42.29 99.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.95 -0.568 . . . . 1.91 111.818 -178.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.578 HG13 HG13 ' B' ' 20' ' ' VAL . 62.1 t -65.69 -42.46 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.634 -0.257 . . . . 0.62 111.345 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.11 -30.93 70.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.905 0.383 . . . . 1.68 109.974 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.21 -46.17 35.64 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.125 -0.489 . . . . 0.77 110.935 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.443 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -54.02 -25.34 20.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.264 0.554 . . . . 0.65 111.418 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 62.2 mtt -64.83 -20.86 66.63 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.806 -0.633 . . . . 0.71 110.478 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.01 -51.43 5.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.626 -0.715 . . . . 0.9 110.838 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.69 -51.13 68.31 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.696 0.76 . . . . 1.58 111.297 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.707 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -73.69 -14.55 61.17 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.943 -1.026 . . . . 1.14 112.339 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.82 43.33 5.51 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 107.607 -1.257 . . . . 1.24 107.607 -175.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.608 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.9 t80 -58.65 127.42 32.1 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.256 -0.884 . . . . 1.46 110.891 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 74.2 mt -136.34 105.3 9.34 Favored Pre-proline 0 N--CA 1.438 -1.028 0 N-CA-C 104.515 -2.402 . . . . 1.34 104.515 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -34.81 127.79 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.903 3.069 . . . . 0.72 114.881 -176.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -63.05 90.54 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.03 -0.986 . . . . 0.85 109.599 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -51.89 -22.74 4.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.843 1.053 . . . . 4.55 113.843 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 19.6 m -82.15 -57.06 3.56 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.126 -0.63 . . . . 0.73 110.666 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.52 74.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.791 -0.64 . . . . 0.64 110.382 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -71.04 -26.51 63.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 1.04 110.385 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.444 ' HA ' ' HA ' ' B' ' 60' ' ' GLN . 4.6 tt0 -75.86 -21.73 56.92 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.105 -1.072 . . . . 2.45 108.105 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -84.02 -44.83 13.73 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.089 -1.414 . . . . 0.65 110.412 179.704 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 -2.94 18.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.199 0.444 . . . . 1.07 112.199 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.93 47.66 3.08 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.426 -0.892 . . . . 1.6 113.858 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -130.12 -48.07 1.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.268 0.556 . . . . 5.04 109.735 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.444 ' HA ' ' HA ' ' B' ' 55' ' ' GLN . 67.4 mt-30 69.64 -95.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.563 -1.199 . . . . 6.57 110.509 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.23 66.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.128 0.49 . . . . 6.55 110.48 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.29 -0.862 . . . . 8.33 109.46 179.368 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' -1' ' ' ' DG' . . . . . 0.559 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.5 -1.492 0 C3'-C2'-C1' 99.31 -2.421 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 1' ' ' ' DA' . . . . . 0.559 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.001 0 C3'-C2'-C1' 99.547 -2.252 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . 0.516 ' C8 ' ' C7 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.59 0 C3'-C2'-C1' 98.87 -2.736 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ' DT' . . . . . 0.616 ' H72' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 C2'--C1' 1.51 -0.769 0 O4'-C1'-C2' 103.905 -1.996 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.597 ' H72' ' C5 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.085 0 C3'-C2'-C1' 99.858 -2.03 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.447 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.047 0 C3'-C2'-C1' 100.327 -1.695 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.46 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C3'-C2'-C1' 99.802 -2.07 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . 0.434 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.18 0 C3'-C2'-C1' 99.48 -2.3 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.434 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.057 0 C3'-C2'-C1' 99.174 -2.519 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.409 ' C6 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.672 0 C3'-C2'-C1' 98.755 -2.818 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.409 ' N4 ' ' C6 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.513 -0.591 0 O4'-C1'-C2' 103.764 -2.123 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.74 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.497 -1.725 0 C3'-C2'-C1' 99.067 -2.595 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.563 " H2'" ' CE2' ' B' ' 7' ' ' TYR . . . . . . . . 0 C2'--C1' 1.494 -1.894 0 C3'-C2'-C1' 99.812 -2.063 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.492 ' N7 ' ' OH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 P--O3' 1.596 -0.943 0 C3'-C2'-C1' 99.419 -2.344 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.478 ' H71' ' OG ' ' B' ' 21' ' ' SER . . . . . . . . 0 C2'--C1' 1.511 -0.719 0 C3'-C2'-C1' 99.733 -2.119 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.96 0 C3'-C2'-C1' 100.155 -1.818 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.426 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.077 0 O4'-C1'-C2' 104.008 -1.902 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.426 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.03 0 C3'-C2'-C1' 99.976 -1.946 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.137 0 C3'-C2'-C1' 100.032 -1.906 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.883 0 O4'-C1'-C2' 103.985 -1.923 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.457 ' C6 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.798 0 C3'-C2'-C1' 99.731 -2.121 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.457 ' H72' ' C6 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.97 0 C3'-C2'-C1' 99.551 -2.249 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C3'-C2'-C1' 99.456 -2.317 . . . . 2.17 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' -1' ' ' ' DA' . . . . . 0.446 " H1'" " H5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.083 0 C3'-C2'-C1' 101.188 -1.08 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.472 H2'' ' OP2' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C4'-C3'-C2' 102.351 -0.849 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.475 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.329 1.117 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.475 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C1'-O4'-C4' 110.963 0.902 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.419 " C2'" " H5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 105.533 2.024 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.419 " H5'" " C2'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 C4'-C3'-C2' 104.103 0.903 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 6' ' ' ' DT' . . . . . 0.404 H2'' " H5'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 106.866 0.697 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . 0.44 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 C3'-C2'-C1' 104.242 1.102 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 8' ' ' ' DA' . . . . . 0.502 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 C5'-C4'-C3' 115.968 0.845 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.502 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 C5'-C4'-C3' 115.96 0.84 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.618 0.913 0 O4'-C1'-C2' 107.235 1.032 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.477 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C5'-C4'-O4' 107.293 -1.317 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.526 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.431 -0.532 0 C3'-C2'-C1' 101.435 -0.904 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.522 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 C2'--C1' 1.508 -0.939 0 C4'-C3'-C2' 104.591 1.391 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.51 ' H71' " C2'" ' D' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C5'-C4'-C3' 116.79 1.393 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.522 ' H41' ' CD ' ' A' ' 18' ' ' GLN . . . . . . . . 0 P--O3' 1.621 1.167 0 O4'-C1'-C2' 107.751 1.501 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.548 ' C2 ' ' C2 ' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C2'-C3'-O3' 112.337 0.643 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.548 ' C2 ' ' C2 ' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.615 0 C4'-C3'-C2' 102.364 -0.836 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . 0.525 ' C4 ' ' N7 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 107.352 1.139 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . 0.525 ' N7 ' ' C4 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C4'-C3'-C2' 102.663 -0.537 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . 0.495 " H2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C1'-O4'-C4' 110.71 0.722 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . 0.495 ' H71' " H2'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 N19-C1'-C2' 115.741 0.963 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C5'-C4'-C3' 115.857 0.772 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 N--CA 1.459 -0.524 0 N-CA-C 110.886 -0.467 . . . . 1.9 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.563 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 26.9 t -105.94 167.76 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 106.469 -1.678 . . . . 0.99 106.469 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.4 p -139.08 165.18 27.81 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 118.042 0.383 . . . . 0.72 110.074 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.537 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.3 pt? -61.64 -16.87 52.43 Favored 'General case' 0 C--N 1.313 -0.986 0 O-C-N 124.238 0.961 . . . . 0.66 109.602 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -79.14 -41.25 28.96 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.061 -0.518 . . . . 0.68 110.152 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.87 -39.01 90.42 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.162 -1.051 . . . . 1.86 108.162 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 5' ' ' THR . 36.4 t -63.34 -47.16 93.28 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 112.512 -2.131 . . . . 0.66 109.411 178.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.453 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -64.16 -38.7 91.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.408 -0.814 . . . . 0.65 112.131 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -68.93 -45.28 71.22 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.304 -0.407 . . . . 2.41 110.835 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.405 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 40.5 t80 -72.54 -25.87 61.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.39 . . . . 1.68 111.694 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.578 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -89.1 -16.74 30.77 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.218 -0.66 . . . . 0.71 109.218 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.52 41.16 66.72 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.565 -1.014 . . . . 0.68 110.565 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.578 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.1 m -131.16 -176.01 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 114.517 -0.841 . . . . 0.62 109.733 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -92.64 150.01 20.97 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 107.454 -1.313 . . . . 1.03 107.454 177.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.537 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.2 p90 -54.09 -39.46 66.38 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.772 -0.771 . . . . 1.38 110.611 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.428 HE21 ' HB2' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -54.71 -40.28 69.03 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.313 -0.403 . . . . 2.08 110.902 175.288 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.596 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 92.4 m -62.3 -41.34 98.44 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 116.149 -0.478 . . . . 0.61 109.824 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.708 ' HA ' HG11 ' A' ' 38' ' ' VAL . 55.4 t -59.47 -52.73 57.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.27 -0.877 . . . . 0.65 110.307 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 11.8 m -61.06 -31.01 70.68 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.457 -0.338 . . . . 1.22 111.48 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.596 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 15.2 mtm180 -67.63 -30.51 70.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.988 -0.745 . . . . 2.65 108.988 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.641 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 66.7 t -81.51 -42.16 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 114.938 -1.028 . . . . 0.92 109.547 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 20' ' ' VAL . 21.4 t -61.55 -45.35 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.492 0.663 . . . . 0.94 109.933 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 21' ' ' SER . 2.1 m-80 -65.87 -33.08 75.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.131 -0.94 . . . . 1.24 110.922 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.641 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 6.4 mt-30 63.3 51.35 2.7 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.762 -0.654 . . . . 4.46 111.703 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.53 -160.69 0.73 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.253 0.549 . . . . 2.66 111.918 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.16 176.02 9.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.566 -0.743 . . . . 2.08 110.573 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.6 m170 65.51 31.51 10.09 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.733 0.778 . . . . 1.63 109.671 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.501 ' CG2' ' HB3' ' A' ' 22' ' ' ARG . 76.4 t -137.83 124.88 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 114.883 -1.053 . . . . 1.05 109.21 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.4 p -85.47 146.43 26.95 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.459 -0.571 . . . . 1.29 109.459 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.34 -33.19 69.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.023 0.379 . . . . 1.09 112.023 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -57.66 -49.86 75.09 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.054 0.454 . . . . 3.08 111.458 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -69.55 -35.66 75.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.577 -0.283 . . . . 0.98 111.34 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HG2' HG13 ' A' ' 23' ' ' VAL . 16.5 ttp180 -55.59 -46.54 77.25 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.222 0.453 . . . . 3.63 112.222 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 39.9 mt-10 -74.19 -28.43 61.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 113.094 0.776 . . . . 1.72 113.094 -177.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -79.59 -27.33 41.13 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.188 -0.605 . . . . 1.44 110.291 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.708 HG11 ' HA ' ' A' ' 20' ' ' VAL . 80.8 t -82.26 -39.85 16.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.571 0.701 . . . . 0.68 109.47 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.61 -29.25 70.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.374 -0.83 . . . . 1.7 109.244 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -69.8 -40.42 75.97 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.817 -1.083 . . . . 0.78 110.771 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.73 -36.78 85.39 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.539 -0.755 . . . . 0.79 111.411 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 24.3 mtt -64.43 -24.97 67.81 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.012 -0.54 . . . . 0.87 111.945 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.3 -34.74 28.51 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.712 0.767 . . . . 0.93 109.72 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 69.7 mm-40 -67.37 -56.47 9.56 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.091 -1.413 . . . . 1.55 112.838 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.459 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -85.8 -9.7 56.65 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.186 -1.37 . . . . 1.79 112.159 -177.37 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.4 m120 66.12 61.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 123.675 0.609 . . . . 2.2 109.756 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.563 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.1 t80 -78.89 124.44 28.24 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.955 -0.566 . . . . 1.38 111.902 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 mp -111.77 111.95 53.79 Favored Pre-proline 0 N--CA 1.45 -0.471 0 CA-C-N 115.664 -0.698 . . . . 1.39 109.423 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.05 125.07 14.54 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.93 2.42 . . . . 0.78 112.604 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -76.71 101.73 5.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.807 -0.633 . . . . 0.69 111.112 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -62.51 -22.58 66.39 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.355 -0.384 . . . . 4.2 112.018 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.443 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -80.27 -29.94 38.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.258 0.551 . . . . 0.7 109.777 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.451 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -76.37 -40.46 50.98 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.095 -0.706 . . . . 0.53 109.095 177.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -61.35 -27.81 68.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.076 -0.965 . . . . 1.67 109.538 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -83.26 -30.7 27.43 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.473 -0.785 . . . . 2.66 110.235 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 tp -69.0 -43.69 74.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.61 110.199 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.67 -24.9 25.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.603 -0.726 . . . . 0.85 111.719 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 111.383 -0.687 . . . . 1.86 111.383 -179.73 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo . . . . . 0 CA--C 1.537 0.642 0 N-CA-C 111.032 -0.411 . . . . 1.75 111.032 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.696 HG21 ' O ' ' B' ' 45' ' ' LEU . 55.2 t -71.24 158.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.51 -0.313 . . . . 0.83 110.909 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.7 p -127.73 157.35 40.57 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.029 0.442 . . . . 0.68 110.159 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.454 ' HG ' ' CG2' ' B' ' 20' ' ' VAL . 0.9 OUTLIER -55.04 -27.55 45.45 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 121.276 -0.89 . . . . 0.66 111.428 177.578 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -66.19 -35.76 81.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.702 -0.681 . . . . 1.22 110.021 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -69.51 -35.39 75.46 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.34 0.591 . . . . 1.45 109.8 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.605 ' HA ' HD23 ' B' ' 45' ' ' LEU . 43.7 t -68.17 -43.3 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.938 -1.028 . . . . 0.55 111.008 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.503 ' HB2' HG11 ' B' ' 20' ' ' VAL . . . -60.87 -52.02 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.63 110.766 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -59.12 -49.06 79.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.214 -0.903 . . . . 2.46 111.834 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.566 ' CB ' HD21 ' B' ' 45' ' ' LEU . 29.5 t80 -60.02 -51.06 71.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.717 0.636 . . . . 1.39 112.717 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.919 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -68.01 -16.9 64.25 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 120.681 0.276 . . . . 0.69 111.031 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.14 46.26 8.35 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.942 -1.123 . . . . 1.09 112.44 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.8 m -133.41 170.44 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 109.054 -0.721 . . . . 0.62 109.054 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 62.7 p -70.82 158.98 35.42 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.296 -1.002 . . . . 1.31 108.296 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -14.11 62.09 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.911 0.386 . . . . 1.58 111.503 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -85.71 -33.56 21.47 Favored 'General case' 0 CA--C 1.516 -0.347 0 O-C-N 121.155 -0.966 . . . . 0.89 108.571 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.0 m -56.15 -44.63 79.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.376 -1.284 . . . . 0.64 111.203 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' B' ' 10' ' ' ALA . 7.7 p -61.8 -46.82 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.16 0 C-N-CA 120.956 -0.298 . . . . 1.17 110.633 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 43.1 m -61.26 -47.07 87.73 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 108.444 -0.947 . . . . 1.13 108.444 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' B' ' 22' ' ' ARG . 24.2 mtm-85 -50.96 -42.05 59.7 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.478 -1.237 . . . . 2.87 112.354 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.401 HG22 HG11 ' B' ' 30' ' ' VAL . 66.7 t -71.54 -36.19 59.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.283 0.564 . . . . 0.86 110.14 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.9 t -66.75 -30.35 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 CA-C-N 115.717 -0.674 . . . . 1.03 110.677 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -92.78 -1.46 56.78 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.418 -0.356 . . . . 1.25 110.947 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 55.39 42.77 29.76 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.292 0.567 . . . . 3.75 110.124 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.74 158.61 24.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.534 -0.757 . . . . 2.36 111.826 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -82.43 -17.51 45.11 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.388 0.613 . . . . 1.96 111.284 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 49.3 m170 -85.08 39.27 0.76 Allowed 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.552 -0.749 . . . . 1.34 109.767 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.401 HG11 HG22 ' B' ' 23' ' ' VAL . 6.6 t -135.56 130.05 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.287 0.565 . . . . 1.1 111.526 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.474 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 49.3 m -77.97 157.46 29.68 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.064 -0.971 . . . . 0.98 109.577 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.53 -54.56 42.48 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.107 0.48 . . . . 1.12 111.75 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -52.18 -55.49 20.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.449 -0.796 . . . . 3.25 110.524 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.474 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -53.4 -39.09 64.01 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.718 -0.674 . . . . 0.77 111.654 -179.486 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -68.31 -43.13 78.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.181 0.515 . . . . 3.59 111.074 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -71.04 -31.28 67.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.726 -0.67 . . . . 1.96 111.215 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.919 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 16.2 ttmm -64.67 -48.49 74.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.532 0.682 . . . . 1.91 110.557 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.577 ' O ' ' HG3' ' B' ' 42' ' ' MET . 96.5 t -69.83 -35.42 64.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.29 -0.868 . . . . 0.62 111.615 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -70.72 -31.12 67.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.865 0.364 . . . . 1.68 110.352 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.97 -45.97 54.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.02 -0.536 . . . . 0.77 110.006 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.23 -27.38 34.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.23 -0.895 . . . . 0.65 110.976 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.577 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 51.0 mtt -64.44 -19.87 65.81 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.001 -0.545 . . . . 0.71 111.586 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.39 -53.38 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.9 110.408 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.28 -50.47 72.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.13 -0.941 . . . . 1.58 110.381 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.696 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -69.45 -22.99 63.61 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.939 -1.028 . . . . 1.14 112.212 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.538 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.9 OUTLIER 62.89 43.28 6.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.107 -1.442 . . . . 1.24 107.107 -175.222 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.65 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.2 t80 -54.55 122.04 9.7 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.678 -1.146 . . . . 1.46 110.675 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 46' ' ' ASN . 13.6 mm -133.58 97.01 16.22 Favored Pre-proline 0 N--CA 1.435 -1.212 0 N-CA-C 104.02 -2.585 . . . . 1.34 104.02 178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.474 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 1.2 Cg_exo -30.52 129.55 0.06 OUTLIER 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 125.078 3.852 . . . . 0.72 115.789 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -67.68 86.38 0.21 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.452 -0.795 . . . . 0.85 111.206 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -24.93 0.86 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.814 1.042 . . . . 4.55 113.814 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.1 m -76.88 -57.49 3.82 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 121.761 -0.587 . . . . 0.73 111.348 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.19 -37.08 64.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.954 -0.566 . . . . 0.64 110.628 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.474 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 6.0 mt-30 -58.84 -39.43 81.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 1.04 112.054 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.6 -48.15 67.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.442 -1.318 . . . . 2.45 107.442 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.1 tp -53.64 -42.02 67.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.141 -0.936 . . . . 0.65 111.121 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.75 -5.16 57.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.584 -0.28 . . . . 1.07 111.369 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.505 0 C-N-CA 120.227 -0.987 . . . . 1.6 113.739 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo . . . . . 0 N--CA 1.457 -0.635 0 CA-C-O 121.202 0.418 . . . . 1.9 111.308 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.579 HG21 ' O ' ' A' ' 45' ' ' LEU . 59.0 t -112.53 123.19 67.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 109.247 -0.649 . . . . 0.99 109.247 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.565 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.7 p -91.34 166.7 12.77 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 113.433 0.901 . . . . 0.72 113.433 -177.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.8 -16.32 64.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.058 -1.428 . . . . 0.66 109.362 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -79.01 -38.76 35.84 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.386 -0.598 . . . . 0.68 109.386 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.7 -41.3 96.12 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 107.31 -1.367 . . . . 1.86 107.31 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 5' ' ' THR . 44.2 t -62.37 -46.09 97.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 112.549 -2.114 . . . . 0.66 109.634 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -62.98 -39.34 94.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.82 -0.627 . . . . 0.65 111.773 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -66.78 -49.09 67.02 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.635 -0.711 . . . . 2.41 110.394 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.502 ' HB3' HD11 ' A' ' 45' ' ' LEU . 39.1 t80 -68.67 -22.55 64.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 1.68 111.165 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -91.78 -16.99 26.03 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.643 -0.503 . . . . 0.71 109.643 -178.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.18 41.49 46.79 Favored Glycine 0 CA--C 1.5 -0.904 0 N-CA-C 110.319 -1.113 . . . . 0.68 110.319 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.476 HG22 ' HB3' ' A' ' 13' ' ' ALA . 34.0 m -137.69 -174.58 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 CA-C-N 114.582 -0.809 . . . . 0.62 109.003 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.1 m -89.53 171.33 9.78 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.72 -0.845 . . . . 1.03 108.72 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.404 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 49.3 p90 -74.71 -36.04 62.71 Favored 'General case' 0 C--N 1.311 -1.09 0 C-N-CA 119.198 -1.001 . . . . 1.38 109.459 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -25.65 65.66 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.165 -0.925 . . . . 2.08 110.747 176.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -64.56 -46.25 83.59 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.624 -0.88 . . . . 0.61 108.624 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 24' ' ' VAL . 92.8 t -57.81 -50.83 76.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.041 -1.436 . . . . 0.65 110.997 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.3 t -63.59 -28.77 70.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.534 -0.757 . . . . 1.22 110.487 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -68.75 -31.84 71.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.726 -0.67 . . . . 2.65 109.285 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.6 t -82.72 -43.42 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.057 0.456 . . . . 0.92 110.536 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 20' ' ' VAL . 16.2 t -60.46 -50.07 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.563 -0.744 . . . . 0.94 111.403 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -76.91 -37.85 54.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.295 -0.866 . . . . 1.24 113.224 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 24.1 mt-30 -125.79 -104.77 0.34 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.921 -0.399 . . . . 4.46 109.921 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 151.44 -35.37 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 124.978 1.424 . . . . 2.66 109.804 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.58 160.6 29.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.741 -1.118 . . . . 2.08 110.927 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 68.3 19.59 8.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.768 -0.651 . . . . 1.63 110.653 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 t -131.79 126.31 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 115.592 -0.731 . . . . 1.05 109.613 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.4 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 56.5 m -59.73 136.73 58.09 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.346 -0.843 . . . . 1.29 109.745 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.465 ' HB1' ' OE2' ' A' ' 36' ' ' GLU . . . -54.31 -37.32 64.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.068 -0.515 . . . . 1.09 110.575 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -56.43 -43.8 79.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.659 -0.701 . . . . 3.08 111.136 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.517 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -86.12 -40.26 15.87 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.005 -0.543 . . . . 0.98 111.834 -178.412 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 17.4 ttm180 -55.07 -53.62 53.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.004 -0.544 . . . . 3.63 112.215 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.465 ' OE2' ' HB1' ' A' ' 32' ' ' ALA . 21.3 mt-10 -70.49 -17.86 62.97 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.471 -0.786 . . . . 1.72 110.459 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -84.45 -30.02 25.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.36 -0.607 . . . . 1.44 109.36 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.646 HG11 ' HA ' ' A' ' 20' ' ' VAL . 54.1 t -76.16 -43.47 37.67 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 109.461 -0.57 . . . . 0.68 109.461 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 44.7 mt-10 -60.55 -31.9 70.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.971 -1.013 . . . . 1.7 109.212 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.512 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -70.7 -36.14 73.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.717 -1.129 . . . . 0.78 110.331 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.86 -34.7 79.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.874 -0.603 . . . . 0.79 110.462 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.429 ' HE3' HG12 ' A' ' 38' ' ' VAL . 40.3 mtt -61.79 -26.3 68.01 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.742 -0.663 . . . . 0.87 111.727 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.67 -34.96 21.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.27 0.557 . . . . 0.93 110.136 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 22.6 mm-40 -65.33 -58.6 5.5 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.784 -1.098 . . . . 1.55 111.86 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.579 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -81.47 -10.63 59.45 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.495 -1.229 . . . . 1.79 112.032 -178.311 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.483 ' O ' HD12 ' A' ' 48' ' ' ILE . 22.8 m-80 67.76 64.93 0.38 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.515 0.674 . . . . 2.2 109.342 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.505 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 13.8 t80 -78.66 120.0 22.72 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.142 -0.936 . . . . 1.38 111.18 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 46' ' ' ASN . 2.5 mp -113.44 108.62 52.0 Favored Pre-proline 0 N--CA 1.44 -0.926 0 CA-C-N 115.227 -0.897 . . . . 1.39 108.675 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -55.9 116.29 3.06 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.553 2.168 . . . . 0.78 112.416 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -67.81 103.05 1.34 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 116.287 -0.415 . . . . 0.69 110.044 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.509 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 1.5 mpt_? -61.91 -31.08 71.35 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.237 -0.438 . . . . 4.2 111.558 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -35.46 71.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.635 -0.505 . . . . 0.7 109.635 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.19 -42.2 69.33 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.063 -0.717 . . . . 0.53 109.063 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -59.54 -39.56 84.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.404 -1.271 . . . . 1.67 109.248 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -69.48 -36.1 76.21 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.296 0.569 . . . . 2.66 109.812 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 tp -64.48 -47.2 79.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.434 -0.803 . . . . 0.61 110.534 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.42 -18.07 55.49 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.711 -0.677 . . . . 0.85 111.698 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.594 0 C-N-CA 120.828 -0.701 . . . . 1.86 111.691 179.263 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 N--CA 1.461 -0.397 0 N-CA-C 110.473 -0.626 . . . . 1.75 110.473 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.622 HG21 ' O ' ' B' ' 45' ' ' LEU . 65.0 t -79.27 154.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.912 -0.403 . . . . 0.83 109.912 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.458 ' O ' HG23 ' B' ' 9' ' ' VAL . 16.7 p -134.87 164.08 28.38 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.786 -0.643 . . . . 0.68 111.436 -177.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.475 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 1.3 tt -59.9 -22.78 62.82 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.2 0.524 . . . . 0.66 111.368 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -72.47 -40.73 66.75 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.243 -0.889 . . . . 1.22 110.466 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -66.41 -36.43 82.81 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.703 -0.68 . . . . 1.45 109.638 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.563 ' HA ' HD23 ' B' ' 45' ' ' LEU . 53.6 t -65.23 -40.77 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 114.658 -1.156 . . . . 0.55 109.609 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.489 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -59.58 -53.4 58.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.546 -0.752 . . . . 0.63 110.889 178.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.72 -47.99 80.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.156 -0.929 . . . . 2.46 111.552 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.423 ' CB ' HD21 ' B' ' 45' ' ' LEU . 34.7 t80 -63.99 -49.76 71.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.09 -0.505 . . . . 1.39 111.851 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.78 -19.98 65.86 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.325 0.491 . . . . 0.69 112.325 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.72 50.44 5.62 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 110.668 -0.973 . . . . 1.09 110.668 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -145.26 168.95 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 N-CA-C 108.59 -0.893 . . . . 0.62 108.59 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.506 ' O ' ' HB ' ' B' ' 19' ' ' THR . 72.2 m -76.59 153.36 35.39 Favored 'General case' 0 N--CA 1.423 -1.79 0 N-CA-C 109.187 -0.672 . . . . 1.31 109.187 177.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.466 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -58.29 -43.11 87.9 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 121.281 -0.168 . . . . 1.58 110.686 -179.374 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -34.45 69.7 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.231 0.538 . . . . 0.89 111.162 177.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' B' ' 16' ' ' SER . 97.4 m -57.31 -40.94 78.91 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.749 0.785 . . . . 0.64 110.722 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.501 HG13 ' CG1' ' B' ' 38' ' ' VAL . 3.7 t -65.01 -46.29 91.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 114.208 -1.36 . . . . 1.17 110.72 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -58.0 -49.19 77.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.088 0.947 . . . . 1.13 108.459 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -57.02 -38.11 72.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.304 -1.316 . . . . 2.87 111.824 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.633 HG13 ' HG3' ' B' ' 35' ' ' ARG . 24.7 t -75.49 -40.17 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-O 120.777 0.322 . . . . 0.86 110.624 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.29 -36.28 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.037 -0.528 . . . . 1.03 110.56 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -86.09 -5.84 59.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.22 -0.445 . . . . 1.25 111.198 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 54.15 44.29 29.38 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.424 0.631 . . . . 3.75 109.934 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.88 179.62 6.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.31 -0.859 . . . . 2.36 110.952 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 0.8 OUTLIER -79.36 167.8 20.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.739 . . . . 1.96 110.834 178.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' B' ' 28' ' ' SER . 62.5 m170 67.95 33.72 4.52 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.658 0.742 . . . . 1.34 110.002 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.47 110.17 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.582 -0.735 . . . . 1.1 110.872 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.543 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 64.4 m -61.43 151.85 31.43 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.805 -0.634 . . . . 0.98 109.815 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.13 -51.34 58.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 111.918 0.34 . . . . 1.12 111.918 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.675 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 56.2 mtmt -53.4 -57.97 8.76 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 123.496 0.497 . . . . 3.25 111.115 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -52.97 -34.93 58.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.865 -0.607 . . . . 0.77 111.553 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.633 ' HG3' HG13 ' B' ' 23' ' ' VAL . 11.3 ttm180 -65.27 -42.95 92.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.219 0.533 . . . . 3.59 110.329 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.03 -41.56 86.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.887 -1.051 . . . . 1.96 111.247 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.675 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 25.3 mtpp -60.39 -39.45 87.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.677 -0.692 . . . . 1.91 111.044 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 34' ' ' THR . 94.4 t -69.46 -39.92 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 115.758 -0.656 . . . . 0.62 110.991 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -71.78 -32.26 67.47 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.289 0.566 . . . . 1.68 109.777 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.0 76.85 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.605 -0.725 . . . . 0.77 109.585 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.29 -28.86 60.12 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.585 -0.734 . . . . 0.65 112.024 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 42.4 mtt -63.66 -20.72 65.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.466 -0.788 . . . . 0.71 109.776 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.17 -49.43 7.75 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.817 -0.629 . . . . 0.9 110.656 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -59.63 -42.02 91.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.75 0.786 . . . . 1.58 111.066 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.622 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -78.19 -19.25 54.26 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.786 -1.097 . . . . 1.14 111.293 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.25 43.32 4.9 Favored 'General case' 0 C--N 1.34 0.183 0 N-CA-C 107.052 -1.462 . . . . 1.24 107.052 -175.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.612 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 t80 -56.94 123.38 14.93 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.759 -1.109 . . . . 1.46 111.632 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mt -135.55 98.98 11.95 Favored Pre-proline 0 N--CA 1.435 -1.193 0 N-CA-C 104.001 -2.592 . . . . 1.34 104.001 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.623 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.7 OUTLIER -30.0 128.86 0.06 OUTLIER 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 125.19 3.927 . . . . 0.72 115.409 -176.357 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -63.65 87.35 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.387 -1.279 . . . . 0.85 111.325 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.606 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -47.38 -29.23 2.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.905 0.882 . . . . 4.55 112.739 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 66.9 m -75.42 -60.78 2.15 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 120.418 -0.513 . . . . 0.73 112.1 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.19 -34.57 63.79 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.774 -0.648 . . . . 0.64 112.135 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.623 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 11.0 mt-30 -66.5 -30.79 71.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.426 -0.352 . . . . 1.04 110.536 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.606 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -82.29 -20.41 37.54 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.083 -0.71 . . . . 2.45 109.083 179.036 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' B' ' 56' ' ' LEU . 1.7 tp -81.97 -46.47 13.96 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.301 -0.863 . . . . 0.65 109.943 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.16 -0.06 8.88 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.903 0.881 . . . . 1.07 112.772 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.539 0 C-N-CA 120.376 -0.916 . . . . 1.6 112.499 -179.701 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 C--O 1.236 0.399 0 CA-C-O 121.04 0.35 . . . . 1.9 112.911 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.57 HG12 ' H ' ' A' ' 5' ' ' THR . 16.8 t -112.98 175.03 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 N-CA-C 107.728 -1.212 . . . . 0.99 107.728 178.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.57 ' H ' HG12 ' A' ' 4' ' ' VAL . 25.4 p -131.98 159.15 39.57 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.753 -0.832 . . . . 0.72 108.753 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -63.35 -19.66 64.83 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 121.712 -0.617 . . . . 0.66 110.364 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -72.29 -42.41 65.54 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.925 -0.58 . . . . 0.68 109.451 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -57.84 -32.37 67.55 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 122.727 1.251 . . . . 1.86 108.564 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 5' ' ' THR . 42.1 t -75.63 -44.1 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 CA-C-N 113.272 -1.786 . . . . 0.66 109.336 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.488 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -63.93 -45.41 89.34 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.572 -0.74 . . . . 0.65 111.946 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.17 -54.73 40.73 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.469 0.652 . . . . 2.41 110.815 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -62.13 -28.55 69.71 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.638 -0.71 . . . . 1.68 112.389 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.635 ' O ' ' HD3' ' A' ' 37' ' ' LYS . . . -83.13 -27.5 30.08 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 121.788 -0.57 . . . . 0.71 111.474 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.23 34.31 7.19 Favored Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 109.725 -1.35 . . . . 0.68 109.725 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.2 m -137.97 -179.41 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-O 121.357 0.599 . . . . 0.62 111.221 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -90.24 147.6 23.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.268 -0.878 . . . . 1.03 108.963 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.488 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 34.2 p90 -49.96 -42.64 49.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.327 0.584 . . . . 1.38 111.023 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -29.49 68.99 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.267 0.556 . . . . 2.08 111.037 178.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 m -66.03 -45.39 81.61 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.828 0.823 . . . . 0.61 109.669 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 24' ' ' VAL . 89.0 t -57.24 -44.94 84.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 114.043 -1.435 . . . . 0.65 110.444 177.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 47.0 t -67.32 -27.67 67.35 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.781 -0.645 . . . . 1.22 110.919 -178.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -73.73 -28.51 61.74 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.31 -0.556 . . . . 2.65 110.097 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.3 t -83.37 -43.97 18.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 120.865 0.364 . . . . 0.92 110.078 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 20' ' ' VAL . 55.4 t -64.5 -48.26 85.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.335 0.588 . . . . 0.94 110.832 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 21' ' ' SER . 35.8 m-20 -75.24 -38.94 60.34 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.024 0.75 . . . . 1.24 113.024 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.529 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -149.95 -109.88 0.07 Allowed 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.86 -0.525 . . . . 4.46 109.665 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 166.53 -21.85 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.4 0.619 . . . . 2.66 111.379 -178.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 0.4 OUTLIER -65.53 150.5 48.29 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.848 -0.615 . . . . 2.08 110.695 -178.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 28' ' ' SER . 4.1 m-70 70.0 23.18 5.5 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.707 0.765 . . . . 1.63 109.359 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' A' ' 27' ' ' ALA . 48.5 t -141.22 132.85 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-N 114.681 -1.145 . . . . 1.05 108.103 178.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.65 155.32 40.69 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.014 -1.106 . . . . 1.29 108.014 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.8 -7.81 47.9 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 113.234 0.827 . . . . 1.09 113.234 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -84.95 -43.91 13.6 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.453 -0.943 . . . . 3.08 108.453 -175.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -70.53 -22.59 62.6 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.714 -1.13 . . . . 0.98 112.3 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -62.05 2.15 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.22 -0.3 . . . . 3.63 111.455 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.14 -26.72 64.98 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.018 0.748 . . . . 1.72 113.018 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.635 ' HD3' ' O ' ' A' ' 13' ' ' ALA . 8.4 ptpt -77.36 -26.92 52.41 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.103 -1.039 . . . . 1.44 109.538 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.564 HG11 ' HA ' ' A' ' 20' ' ' VAL . 55.0 t -79.07 -37.51 19.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 114.803 -1.089 . . . . 0.68 108.177 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -78.89 -2.3 39.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.251 -1.018 . . . . 1.7 108.251 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.658 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -91.31 -50.29 5.9 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 106.385 -1.709 . . . . 0.78 106.385 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.25 82.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 113.657 -1.61 . . . . 0.79 113.479 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 1.7 ptp -76.0 -19.8 58.38 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.14 -0.624 . . . . 0.87 110.272 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.3 -17.77 31.7 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.182 -0.917 . . . . 0.93 110.737 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.658 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 56.5 mm-40 -91.64 -55.64 3.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 123.526 1.632 . . . . 1.55 110.147 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.26 -1.3 40.18 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 111.74 -2.482 . . . . 1.79 112.437 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.1 m120 56.85 59.44 3.5 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.6 0.714 . . . . 2.2 110.056 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.8 t80 -76.88 122.89 25.48 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.997 -1.001 . . . . 1.38 109.248 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.85 109.53 61.11 Favored Pre-proline 0 N--CA 1.444 -0.74 0 N-CA-C 108.592 -0.892 . . . . 1.39 108.592 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -46.95 123.27 7.15 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.044 2.496 . . . . 0.78 110.962 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.611 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 6.1 m-20 -74.23 113.9 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.506 0.669 . . . . 0.69 110.222 -178.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -79.14 -20.25 49.04 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.168 -0.924 . . . . 4.2 111.175 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.14 -56.18 4.68 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 110.4 -0.222 . . . . 0.7 110.4 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.588 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -58.81 -46.13 88.35 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.6 -0.519 . . . . 0.53 109.6 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.611 ' HB3' ' O ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -47.96 -39.36 19.14 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.753 -1.112 . . . . 1.67 111.049 177.035 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -82.32 -18.62 41.6 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.349 -0.387 . . . . 2.66 110.854 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 tp -76.17 -52.61 9.72 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 108.878 -0.786 . . . . 0.61 108.878 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.36 -56.04 24.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.842 -1.072 . . . . 0.85 111.203 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.586 0 C-N-CA 118.949 -1.596 . . . . 1.86 111.065 176.624 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.411 ' HA ' ' HB ' ' B' ' 48' ' ' ILE . 63.4 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 CA-C-O 120.755 0.231 . . . . 1.75 111.694 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.671 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 74.1 t -67.24 137.26 25.12 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 121.597 0.713 . . . . 0.83 109.738 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.851 HG22 ' HB2' ' B' ' 50' ' ' ASN . 66.7 p -124.56 160.22 28.88 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.748 -0.66 . . . . 0.68 110.562 -177.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.413 ' HG ' HG11 ' B' ' 20' ' ' VAL . 0.5 OUTLIER -50.61 -15.72 0.3 Allowed 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 113.626 0.973 . . . . 0.66 113.626 177.027 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -85.81 -20.36 29.3 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 120.497 -0.481 . . . . 1.22 109.797 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -39.9 15.47 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.529 -1.286 . . . . 1.45 107.529 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.539 ' HA ' HD23 ' B' ' 45' ' ' LEU . 8.6 t -61.62 -48.72 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.005 -0.998 . . . . 0.55 111.0 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.654 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.41 -64.35 0.89 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 122.059 0.933 . . . . 0.63 110.416 178.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -49.11 -34.08 13.24 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 113.432 -1.713 . . . . 2.46 112.906 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.453 ' CB ' HD21 ' B' ' 45' ' ' LEU . 27.1 t80 -78.09 -44.17 26.97 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 116.152 -0.476 . . . . 1.39 112.029 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -81.86 -22.17 37.11 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 112.648 0.61 . . . . 0.69 112.648 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.59 23.36 31.23 Favored Glycine 0 C--N 1.32 -0.312 0 C-N-CA 119.488 -1.339 . . . . 1.09 112.493 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.723 HG21 HG22 ' B' ' 38' ' ' VAL . 6.3 m -110.54 158.63 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 N-CA-C 109.015 -0.735 . . . . 0.62 109.015 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.609 ' O ' HG23 ' B' ' 20' ' ' VAL . 5.4 m -70.1 168.02 16.47 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 119.809 -0.756 . . . . 1.31 112.067 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -63.55 -45.18 91.68 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.081 -1.418 . . . . 1.58 110.249 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -69.4 -34.12 74.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.277 -0.268 . . . . 0.89 110.277 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.466 ' OG1' ' HB2' ' B' ' 16' ' ' SER . 6.3 m -57.01 -28.18 62.25 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.696 0.623 . . . . 0.64 111.996 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.654 HG21 ' HB2' ' B' ' 10' ' ' ALA . 7.4 t -82.57 -40.13 16.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.832 -0.622 . . . . 1.17 109.495 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 17.9 m -66.86 -31.73 72.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.682 -0.69 . . . . 1.13 111.29 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -78.6 -18.63 54.27 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.394 -0.816 . . . . 2.87 111.438 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.419 HG21 HG21 ' B' ' 38' ' ' VAL . 3.1 t -75.09 -37.58 40.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.274 -1.01 . . . . 0.86 108.274 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.8 -39.27 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 114.411 -1.268 . . . . 1.03 110.107 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -73.02 -9.33 58.61 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.998 -0.546 . . . . 1.25 112.081 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 60.07 31.35 20.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 123.462 0.705 . . . . 3.75 111.311 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.47 175.55 10.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.229 1.014 . . . . 2.36 111.796 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.61 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 53.8 m -100.7 178.92 4.57 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 113.436 -1.711 . . . . 1.96 107.925 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . 0.61 ' HB2' ' O ' ' B' ' 28' ' ' SER . 23.9 m170 89.37 -1.97 0.36 Allowed 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 123.332 0.653 . . . . 1.34 110.164 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.79 103.35 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 N-CA-C 108.161 -1.051 . . . . 1.1 108.161 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.19 166.03 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 115.254 1.576 . . . . 0.98 115.254 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -67.22 -37.43 83.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.324 -1.307 . . . . 1.12 111.461 -177.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 28.4 ttpt -55.09 -60.45 3.36 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.532 0.682 . . . . 3.25 110.304 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.417 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.1 OUTLIER -56.91 -23.25 43.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.138 -0.937 . . . . 0.77 112.089 178.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.09 -40.31 53.34 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.522 0.677 . . . . 3.59 109.529 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 20.7 mt-10 -69.13 -32.3 71.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.752 -1.113 . . . . 1.96 109.775 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' B' ' 33' ' ' LYS . 11.3 mmpt? -62.92 -37.53 87.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.598 -1.183 . . . . 1.91 109.572 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.723 HG22 HG21 ' B' ' 15' ' ' VAL . 93.7 t -75.36 -39.16 41.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.948 -0.569 . . . . 0.62 110.309 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' B' ' 42' ' ' MET . 41.6 mt-10 -62.83 -34.59 77.64 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.63 0.729 . . . . 1.68 110.037 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.6 81.18 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.872 -1.058 . . . . 0.77 109.698 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -59.83 -32.26 70.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.819 -1.082 . . . . 0.65 109.983 178.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 48.0 mtt -62.59 -21.94 66.0 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.09 -0.959 . . . . 0.71 108.991 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.31 -47.45 8.03 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.9 110.357 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -54.84 -55.03 34.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.259 1.028 . . . . 1.58 110.054 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.654 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.3 OUTLIER -76.26 -18.29 59.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.501 -1.227 . . . . 1.14 110.43 178.77 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 53.81 71.04 0.54 Allowed 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 106.253 -1.758 . . . . 1.24 106.253 -176.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.433 ' HD1' ' N ' ' B' ' 48' ' ' ILE . 0.1 OUTLIER -35.98 128.72 0.68 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 112.834 -1.984 . . . . 1.46 115.192 -176.06 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.671 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 mm -131.54 74.86 77.73 Favored Pre-proline 0 C--N 1.307 -1.25 0 CA-C-N 110.865 -2.879 . . . . 1.34 109.444 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' B' ' 51' ' ' ARG . 72.4 Cg_exo -37.54 125.15 0.6 Allowed 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 123.913 3.076 . . . . 0.72 111.995 -177.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.851 ' HB2' HG22 ' B' ' 5' ' ' THR . 34.8 t-20 -66.8 76.49 0.12 Allowed 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.404 -0.591 . . . . 0.85 109.404 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' B' ' 49' ' ' PRO . 13.4 mtt85 -43.7 -28.07 0.38 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.915 1.45 . . . . 4.55 114.915 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' B' ' 56' ' ' LEU . 71.1 m -71.26 -56.39 6.14 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.909 -0.404 . . . . 0.73 109.909 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.96 -34.44 59.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.24 0.543 . . . . 0.64 111.258 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -60.32 -35.6 75.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.036 -0.984 . . . . 1.04 112.276 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -92.49 -21.81 19.94 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.474 -0.935 . . . . 2.45 108.474 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -70.34 -43.58 69.95 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.436 -0.802 . . . . 0.65 110.479 178.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.67 -68.93 0.34 Allowed 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 106.847 -1.538 . . . . 1.07 106.847 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.406 0 C-N-CA 118.824 -1.655 . . . . 1.6 111.48 173.581 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 N--CA 1.457 -0.624 0 CA-C-O 121.106 0.377 . . . . 1.9 112.314 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.57 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 83.7 t -125.94 129.62 72.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.008 -1.108 . . . . 0.99 108.008 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.1 p -91.21 169.95 10.41 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 113.316 0.858 . . . . 0.72 113.316 -178.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -65.1 -18.38 65.25 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.041 -1.436 . . . . 0.66 109.363 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -78.24 -40.62 36.73 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.677 -0.692 . . . . 0.68 110.859 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.7 -41.2 97.28 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.699 1.238 . . . . 1.86 107.88 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 5' ' ' THR . 23.1 t -62.49 -44.26 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 112.649 -2.069 . . . . 0.66 110.799 178.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -34.04 76.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.185 -0.916 . . . . 0.65 111.223 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -70.08 -49.65 48.91 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.284 -0.416 . . . . 2.41 110.646 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -67.79 -25.23 65.49 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.253 0.549 . . . . 1.68 111.803 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB1' HG22 ' A' ' 38' ' ' VAL . . . -90.4 -17.78 26.63 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.668 -0.696 . . . . 0.71 109.974 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.65 44.31 40.18 Favored Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 110.519 -1.033 . . . . 0.68 110.519 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 13' ' ' ALA . 34.6 m -136.76 -166.87 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.804 -0.698 . . . . 0.62 110.268 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.6 p -99.71 170.78 8.33 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.623 -1.251 . . . . 1.03 107.623 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.413 ' HB2' ' CD1' ' A' ' 6' ' ' LEU . 35.5 p90 -73.42 -32.68 64.55 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 118.211 -1.396 . . . . 1.38 108.615 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -62.4 -33.36 74.61 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.667 -0.697 . . . . 2.08 110.189 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -62.47 -46.01 90.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.644 -0.873 . . . . 0.61 108.644 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 24' ' ' VAL . 55.9 t -59.55 -52.71 57.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.705 -1.134 . . . . 0.65 110.028 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.7 t -62.33 -25.68 68.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 1.22 111.635 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.42 ' HG2' HG22 ' A' ' 30' ' ' VAL . 23.2 tpp180 -73.05 -30.33 63.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.626 -0.509 . . . . 2.65 109.626 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.461 HG13 ' HG3' ' A' ' 35' ' ' ARG . 92.6 t -84.06 -44.26 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-O 121.465 0.65 . . . . 0.92 111.284 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 20' ' ' VAL . 24.9 t -62.67 -49.41 83.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.241 -0.89 . . . . 0.94 112.535 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -87.41 -18.5 29.83 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 113.46 0.911 . . . . 1.24 113.46 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 20.3 mt-30 -135.85 -106.36 0.21 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 119.158 -0.449 . . . . 4.46 110.855 -178.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 151.83 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.691 1.197 . . . . 2.66 109.842 -178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 46.6 t -77.91 160.91 27.95 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.452 -0.794 . . . . 2.08 110.599 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' A' ' 28' ' ' SER . 56.7 m170 72.21 21.9 3.75 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 123.895 0.747 . . . . 1.63 111.372 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.42 HG22 ' HG2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -139.26 137.14 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 109.053 -0.721 . . . . 1.05 109.053 178.551 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.616 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 63.8 m -64.13 132.88 51.76 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.995 -1.002 . . . . 1.29 109.742 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.94 -34.79 65.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.477 0.656 . . . . 1.09 109.979 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -59.38 -40.76 87.57 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.092 -0.958 . . . . 3.08 110.685 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.616 ' OG1' ' HB2' ' A' ' 31' ' ' SER . 0.0 OUTLIER -88.8 -41.54 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.583 0.586 . . . . 0.98 112.583 -179.41 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.531 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 45.7 ttp180 -50.11 -49.99 49.93 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.128 0.489 . . . . 3.63 111.58 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 39.0 mt-10 -71.51 -16.99 62.36 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.135 -0.939 . . . . 1.72 111.349 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -89.51 -28.75 19.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 1.44 110.279 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.531 HG22 ' HB1' ' A' ' 13' ' ' ALA . 89.7 t -78.42 -44.54 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 108.746 -0.835 . . . . 0.68 108.746 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 38.3 mt-10 -59.27 -29.9 67.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.867 -1.06 . . . . 1.7 108.498 178.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -73.14 -33.14 65.33 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.689 -1.141 . . . . 0.78 110.46 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.46 96.14 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.544 0.688 . . . . 0.79 109.504 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.425 ' HE3' HG12 ' A' ' 38' ' ' VAL . 44.7 mtt -58.03 -27.92 64.0 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 114.962 -1.017 . . . . 0.87 112.248 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.4 -26.4 26.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.296 0.569 . . . . 0.93 110.79 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 21.4 mm-40 -72.75 -56.71 4.86 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.086 -0.961 . . . . 1.55 110.801 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.543 ' O ' HG21 ' A' ' 4' ' ' VAL . 1.3 mt -80.8 -18.69 46.73 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 113.48 -1.691 . . . . 1.79 111.447 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.72 66.41 0.15 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.58 0.705 . . . . 2.2 110.132 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.57 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.1 t80 -81.04 118.4 22.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.254 -0.884 . . . . 1.38 111.19 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.7 110.36 64.11 Favored Pre-proline 0 N--CA 1.438 -1.075 0 N-CA-C 108.831 -0.803 . . . . 1.39 108.831 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -55.26 107.16 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.71 2.274 . . . . 0.78 110.663 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -67.71 100.4 0.91 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.373 0.606 . . . . 0.69 111.534 -177.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -69.27 -19.64 63.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.435 -0.802 . . . . 4.2 110.818 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 1.3 m -74.09 -35.96 64.23 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.418 -0.956 . . . . 0.7 108.418 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.45 -39.27 67.91 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.119 -0.946 . . . . 0.53 110.095 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.62 -42.25 95.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.782 -0.644 . . . . 1.67 110.057 178.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 52' ' ' CYS . 2.9 pt20 -62.56 -30.13 71.09 Favored 'General case' 0 CA--C 1.522 -0.134 0 N-CA-C 108.971 -0.751 . . . . 2.66 108.971 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 tp -71.25 -46.74 60.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.207 -0.906 . . . . 0.61 110.83 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.32 -13.71 60.13 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.016 -0.538 . . . . 0.85 112.307 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.978 0 N-CA-C 110.75 -0.94 . . . . 1.86 110.75 -179.112 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo . . . . . 0 N--CA 1.463 -0.314 0 CA-C-O 120.827 0.261 . . . . 1.75 111.801 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.696 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 90.4 t -119.94 139.53 46.95 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.912 0 CA-C-N 116.136 -0.484 . . . . 0.83 109.939 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.412 ' OG1' ' HB2' ' B' ' 7' ' ' TYR . 17.7 p -93.4 165.26 12.86 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 113.083 0.772 . . . . 0.68 113.083 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.598 ' HG ' HG11 ' B' ' 20' ' ' VAL . 2.4 tt -61.83 -22.03 65.14 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.153 -0.931 . . . . 0.66 109.971 176.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.464 ' CE1' ' CE1' ' B' ' 17' ' ' TYR . 37.5 m-85 -66.89 -41.18 87.61 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 115.841 -0.618 . . . . 1.22 110.214 178.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.428 ' HB2' ' CG1' ' B' ' 4' ' ' VAL . 20.2 m-20 -70.07 -31.24 68.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.237 -0.892 . . . . 1.45 110.103 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.608 ' HA ' HD23 ' B' ' 45' ' ' LEU . 51.5 t -67.1 -45.85 85.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.844 -0.616 . . . . 0.55 110.558 178.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.725 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -58.27 -54.7 44.01 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.062 -0.517 . . . . 0.63 111.817 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -61.84 -39.95 93.63 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.344 -0.844 . . . . 2.46 112.448 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.582 ' CB ' HD21 ' B' ' 45' ' ' LEU . 63.2 t80 -62.7 -38.48 90.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.481 0.658 . . . . 1.39 110.108 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.566 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -84.29 -21.59 30.99 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.326 -0.852 . . . . 0.69 111.126 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.74 -47.75 1.02 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.754 -0.938 . . . . 1.09 110.754 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -45.52 160.92 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 115.546 1.684 . . . . 0.62 115.546 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -78.09 167.81 20.85 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 113.718 -1.583 . . . . 1.31 110.243 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.464 ' CE1' ' CE1' ' B' ' 7' ' ' TYR . 26.3 t80 -57.61 -56.55 20.43 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.093 -0.958 . . . . 1.58 111.422 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -58.19 -25.22 61.32 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 112.861 0.689 . . . . 0.89 112.861 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -66.13 -39.33 89.8 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.892 0.853 . . . . 0.64 109.613 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.725 HG21 ' HB2' ' B' ' 10' ' ' ALA . 10.9 t -67.47 -51.49 51.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.64 -1.164 . . . . 1.17 109.81 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -53.59 -49.77 67.05 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.418 -0.956 . . . . 1.13 108.418 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -48.81 -39.88 27.07 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 114.107 -1.406 . . . . 2.87 112.572 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.449 HG13 ' HG3' ' B' ' 35' ' ' ARG . 25.5 t -72.19 -41.15 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.21 0.529 . . . . 0.86 110.895 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.14 -39.87 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 CA-C-N 115.423 -0.808 . . . . 1.03 111.557 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -81.26 -9.58 59.74 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.212 -0.449 . . . . 1.25 111.006 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 59.33 41.42 19.79 Favored 'General case' 0 N--CA 1.462 0.172 0 O-C-N 123.944 0.777 . . . . 3.75 109.893 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.18 171.63 13.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.031 -0.986 . . . . 2.36 111.355 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 9.3 p -84.86 170.93 12.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.973 -0.558 . . . . 1.96 110.438 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' B' ' 28' ' ' SER . 53.2 m170 72.0 40.43 0.73 Allowed 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.416 0.448 . . . . 1.34 111.951 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 13.5 t -132.4 124.54 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 N-CA-C 110.007 -0.368 . . . . 1.1 110.007 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.717 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 14.7 m -68.08 146.71 53.23 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 109.987 -0.375 . . . . 0.98 109.987 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.06 -51.86 65.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.417 0.525 . . . . 1.12 112.417 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -58.58 -48.31 81.37 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.065 0.394 . . . . 3.25 112.065 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.717 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -57.34 -36.47 71.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.053 -0.521 . . . . 0.77 111.19 179.632 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.449 ' HG3' HG13 ' B' ' 23' ' ' VAL . 49.7 ttt180 -68.8 -49.03 61.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.999 -0.546 . . . . 3.59 110.05 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.1 -36.02 74.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.081 -0.963 . . . . 1.96 111.159 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.566 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 19.6 ttmm -63.66 -38.45 91.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 1.91 111.268 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.621 ' O ' ' HG3' ' B' ' 42' ' ' MET . 96.2 t -73.42 -41.22 56.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.02 -0.536 . . . . 0.62 111.179 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -68.77 -28.25 66.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.847 0.356 . . . . 1.68 110.321 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.66 -44.69 23.18 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.248 -0.433 . . . . 0.77 110.42 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.444 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -53.9 -27.88 33.18 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.71 -0.677 . . . . 0.65 110.785 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.621 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 49.7 mtt -61.45 -21.88 64.55 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.212 -0.904 . . . . 0.71 110.9 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.18 -48.09 7.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.374 . . . . 0.9 111.702 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.59 -46.22 84.29 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 121.697 0.76 . . . . 1.58 110.729 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.618 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -75.4 -17.2 60.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.857 -1.065 . . . . 1.14 111.579 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 63.08 43.34 6.58 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.014 -1.476 . . . . 1.24 107.014 -175.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.696 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.6 t80 -56.27 122.09 11.0 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 114.185 -1.37 . . . . 1.46 111.209 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -133.86 101.92 12.57 Favored Pre-proline 0 N--CA 1.431 -1.401 0 N-CA-C 103.893 -2.632 . . . . 1.34 103.893 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.586 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 4.8 Cg_exo -34.48 126.6 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 124.706 3.604 . . . . 0.72 115.355 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.565 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 2.0 m-20 -65.89 80.75 0.07 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.443 -0.799 . . . . 0.85 110.254 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 tpp85 -49.69 -30.3 8.97 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.017 1.118 . . . . 4.55 114.017 -177.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 85.4 m -68.22 -60.31 2.56 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.571 -0.452 . . . . 0.73 110.448 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.64 -36.28 75.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.959 0.409 . . . . 0.64 111.768 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.586 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 43.8 mt-30 -63.9 -32.92 74.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.182 -0.463 . . . . 1.04 111.488 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -68.12 -50.04 57.31 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.232 -1.025 . . . . 2.45 108.232 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.55 -42.8 64.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.152 -0.931 . . . . 0.65 110.729 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.38 -7.99 58.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.972 -0.558 . . . . 1.07 111.991 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.483 0 C-N-CA 121.072 -0.585 . . . . 1.6 113.522 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo . . . . . 0 N--CA 1.455 -0.774 0 N-CA-C 109.731 -0.911 . . . . 1.9 109.731 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.616 HG13 ' HB2' ' A' ' 8' ' ' ASP . 55.6 t -52.88 137.08 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.931 0 CA-C-N 114.685 -1.143 . . . . 0.99 110.519 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.8 p -98.63 170.51 8.75 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.782 -1.099 . . . . 0.72 113.282 -178.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.451 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.1 pt? -65.65 -16.93 64.21 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.971 -1.013 . . . . 0.66 110.193 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.447 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 72.7 m-85 -78.93 -38.87 36.18 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 109.799 -0.445 . . . . 0.68 109.799 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.616 ' HB2' HG13 ' A' ' 4' ' ' VAL . 73.5 m-20 -60.78 -41.67 96.01 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 122.528 1.156 . . . . 1.86 107.947 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 5' ' ' THR . 21.4 t -63.02 -47.8 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 CA-C-N 112.304 -2.226 . . . . 0.66 110.085 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.13 89.96 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.34 -0.845 . . . . 0.65 111.621 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 45.9 mt-10 -68.17 -43.9 77.16 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.996 -0.547 . . . . 2.41 111.231 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.406 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 69.3 t80 -75.71 -25.86 57.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.847 0.356 . . . . 1.68 111.303 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.612 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.27 -17.6 39.18 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 108.719 -0.845 . . . . 0.71 108.719 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.46 37.14 58.7 Favored Glycine 0 C--N 1.339 0.741 0 C-N-CA 120.401 -0.904 . . . . 0.68 111.191 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.612 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.3 m -130.07 -169.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.258 -0.971 . . . . 0.62 111.002 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 m -97.95 164.23 12.45 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 107.305 -1.368 . . . . 1.03 107.305 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.451 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 53.5 p90 -68.89 -28.92 67.12 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.84 -1.17 . . . . 1.38 107.84 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.88 -37.53 82.48 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.351 -1.295 . . . . 2.08 110.216 175.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.589 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 85.8 m -65.66 -46.14 80.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.172 0.51 . . . . 0.61 109.787 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 24' ' ' VAL . 76.5 t -56.1 -50.7 68.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 114.717 -1.129 . . . . 0.65 111.055 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.0 t -66.93 -30.11 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.095 -0.335 . . . . 1.22 110.095 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.589 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 6.2 mtm180 -64.44 -34.65 78.68 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.309 -0.405 . . . . 2.65 110.016 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.4 HG13 ' HG2' ' A' ' 35' ' ' ARG . 78.4 t -79.45 -47.02 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.92 111.254 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 20' ' ' VAL . 18.1 t -60.87 -47.67 92.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 112.993 0.738 . . . . 0.94 112.993 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -88.47 -25.68 22.48 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 114.139 1.163 . . . . 1.24 114.139 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 14.0 mm-40 -129.12 -101.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 118.497 0.589 . . . . 4.46 111.322 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 145.04 -46.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 125.196 1.56 . . . . 2.66 110.713 -177.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 2.0 m -62.9 150.71 41.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.273 -0.876 . . . . 2.08 111.27 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 28' ' ' SER . 54.1 m170 75.56 16.08 2.61 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.885 0.85 . . . . 1.63 109.995 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.0 t -133.18 122.89 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 114.62 -1.173 . . . . 1.05 107.892 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.6 p -67.56 146.8 53.54 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.516 -0.765 . . . . 1.29 109.215 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.78 -37.26 68.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.107 -0.497 . . . . 1.09 110.211 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -54.55 -43.02 71.64 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.172 -0.467 . . . . 3.08 111.643 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -84.28 -43.2 15.07 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.628 0.233 . . . . 0.98 111.628 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 35' ' ' ARG . 16.1 ttp180 -53.55 -49.88 66.72 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.253 0.549 . . . . 3.63 112.439 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 29.9 mt-10 -71.27 -23.05 61.9 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.973 -1.012 . . . . 1.72 110.702 -177.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -81.21 -30.97 34.12 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.693 -0.685 . . . . 1.44 110.21 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 34' ' ' THR . 96.8 t -78.26 -43.0 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 109.457 -0.572 . . . . 0.68 109.457 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.83 -30.11 67.42 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 122.266 1.031 . . . . 1.7 108.79 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -75.7 -37.91 59.07 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.501 -1.227 . . . . 0.78 111.23 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.18 86.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.502 0.668 . . . . 0.79 110.098 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 mtt -64.63 -24.32 67.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.158 -0.928 . . . . 0.87 111.128 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.47 -34.74 18.58 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.646 0.736 . . . . 0.93 110.298 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 78.8 mm-40 -62.45 -57.76 10.06 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 122.752 1.263 . . . . 1.55 111.309 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.473 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.6 OUTLIER -83.04 -15.0 52.77 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 112.96 -1.927 . . . . 1.79 112.304 -177.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 28.7 m-80 67.67 70.89 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.573 0.701 . . . . 2.2 109.796 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.556 ' HD1' ' O ' ' A' ' 4' ' ' VAL . 7.1 t80 -83.16 124.29 30.37 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.159 -0.928 . . . . 1.38 110.805 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.77 103.85 55.24 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.652 -0.499 . . . . 1.39 109.652 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.46 112.75 0.96 Allowed 'Trans proline' 0 N--CA 1.486 1.054 0 C-N-CA 123.383 2.722 . . . . 0.78 113.685 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -69.1 108.56 3.63 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.406 0.622 . . . . 0.69 111.122 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.597 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 2.1 mpt_? -70.69 -28.68 64.94 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.451 -0.795 . . . . 4.2 111.203 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.55 -25.51 60.43 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.678 -0.692 . . . . 0.7 110.222 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.77 -38.61 28.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.079 -0.964 . . . . 0.53 109.338 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -66.04 -31.19 71.94 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 114.945 -1.025 . . . . 1.67 108.7 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -73.57 -27.6 61.4 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.026 0.441 . . . . 2.66 109.921 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.5 tp -76.43 -42.12 45.14 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.285 -0.416 . . . . 0.61 111.533 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.41 -9.1 58.67 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.085 0.402 . . . . 0.85 112.085 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.312 0 C-N-CA 120.715 -0.755 . . . . 1.86 111.594 179.685 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo . . . . . 0 N--CA 1.465 -0.169 0 N-CA-C 111.17 -0.358 . . . . 1.75 111.17 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.625 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 9.8 t -74.93 175.49 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.531 -0.759 . . . . 0.83 110.366 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.62 ' H ' HG12 ' B' ' 4' ' ' VAL . 27.1 p -131.37 152.18 50.85 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 109.704 -0.48 . . . . 0.68 109.704 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.604 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 0.7 OUTLIER -50.6 -29.51 11.06 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.035 0.921 . . . . 0.66 112.218 177.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -70.48 -41.02 73.26 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.294 -1.321 . . . . 1.22 111.777 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -64.28 -32.94 74.73 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 108.95 -0.759 . . . . 1.45 108.95 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.615 ' HA ' HD23 ' B' ' 45' ' ' LEU . 49.5 t -66.54 -44.11 90.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 115.654 -0.703 . . . . 0.55 110.098 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.552 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -58.34 -60.51 3.66 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 124.017 0.823 . . . . 0.63 111.269 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.38 -38.89 69.44 Favored 'General case' 0 N--CA 1.445 -0.707 0 O-C-N 123.414 0.446 . . . . 2.46 112.023 -178.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.608 ' CB ' HD21 ' B' ' 45' ' ' LEU . 67.7 t80 -62.1 -47.1 86.12 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.915 -0.402 . . . . 1.39 109.915 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.516 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -78.85 -18.19 54.39 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 112.767 0.654 . . . . 0.69 112.767 -177.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.76 -48.33 0.95 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.5 -1.04 . . . . 1.09 110.5 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.9 m -48.66 159.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 116.638 2.088 . . . . 0.62 116.638 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -71.35 165.24 24.15 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 114.023 -1.444 . . . . 1.31 108.525 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.445 ' HD1' ' CD2' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -68.72 -48.22 64.38 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 110.518 -0.179 . . . . 1.58 110.518 -178.101 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' B' ' 22' ' ' ARG . 24.3 tp60 -55.33 -14.76 2.0 Allowed 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.051 0.929 . . . . 0.89 110.852 176.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.2 m -80.09 -34.9 37.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.177 -0.92 . . . . 0.64 109.806 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.604 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 14.2 t -70.59 -46.36 70.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.714 -1.13 . . . . 1.17 109.514 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 27.5 m -53.62 -51.41 63.18 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.718 -1.216 . . . . 1.13 107.718 175.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 4.0 ttp180 -50.15 -39.29 42.96 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 112.771 -2.013 . . . . 2.87 112.959 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.51 HG11 ' HB ' ' B' ' 38' ' ' VAL . 47.2 t -81.21 -45.45 20.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 O-C-N 122.209 -0.307 . . . . 0.86 110.862 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.5 -46.88 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 122.696 0.398 . . . . 1.03 111.542 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.69 -3.48 57.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 1.25 111.426 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.536 ' OE1' ' HD3' ' B' ' 35' ' ' ARG . 77.5 mm-40 58.06 39.08 26.6 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.117 -0.492 . . . . 3.75 109.919 -178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.17 166.99 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.397 -0.82 . . . . 2.36 111.112 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -80.32 179.92 7.44 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 116.209 -0.45 . . . . 1.96 110.446 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 23.6 m170 64.68 39.64 6.3 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.15 0.5 . . . . 1.34 109.947 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.72 ' HB ' ' NH2' ' B' ' 35' ' ' ARG . 37.1 t -138.27 130.43 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 CA-C-N 116.158 -0.474 . . . . 1.1 110.975 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.555 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 64.5 m -70.54 147.32 49.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.752 -0.658 . . . . 0.98 109.601 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' B' ' 36' ' ' GLU . . . -70.83 -9.07 56.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.37 0.878 . . . . 1.12 113.37 -177.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -91.45 -53.89 4.14 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 107.186 -1.413 . . . . 3.25 107.186 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -55.49 -27.99 51.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 112.918 -1.946 . . . . 0.77 110.999 177.652 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.72 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 33.1 ttm-85 -71.58 -47.86 52.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.449 0.642 . . . . 3.59 110.457 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' B' ' 32' ' ' ALA . 16.6 mm-40 -68.45 -27.67 66.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.375 -0.829 . . . . 1.96 111.101 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.516 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 1.3 tppt? -67.35 -48.42 67.54 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.56 -0.745 . . . . 1.91 109.878 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 34' ' ' THR . 70.5 t -65.88 -37.92 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 115.505 -0.77 . . . . 0.62 112.116 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.7 -31.27 69.2 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.617 -0.433 . . . . 1.68 109.916 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.47 -45.24 69.48 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.075 -0.713 . . . . 0.77 109.075 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.01 62.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.311 -0.859 . . . . 0.65 112.118 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.472 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 52.4 mtt -70.24 -26.23 63.75 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.164 -1.05 . . . . 0.71 108.164 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.26 -12.67 40.03 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.467 -1.242 . . . . 0.9 110.173 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -92.38 -52.68 4.55 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.282 -1.377 . . . . 1.58 107.282 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.615 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.2 OUTLIER -72.53 -10.61 60.0 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 114.006 -1.452 . . . . 1.14 112.566 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t30 60.9 46.14 8.9 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.293 -1.002 . . . . 1.24 108.293 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.625 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.6 t80 -60.97 124.44 20.5 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 113.998 -1.455 . . . . 1.46 111.537 -177.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 10.2 mm -138.32 99.0 8.96 Favored Pre-proline 0 N--CA 1.427 -1.603 0 N-CA-C 103.044 -2.947 . . . . 1.34 103.044 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.445 ' HB2' ' NH1' ' B' ' 51' ' ' ARG . 0.5 OUTLIER -29.78 125.56 0.06 OUTLIER 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.915 3.743 . . . . 0.72 116.825 -175.646 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -52.23 94.81 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.397 -1.274 . . . . 0.85 110.246 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' B' ' 49' ' ' PRO . 27.5 mmt180 -57.93 -31.36 66.74 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.033 0.753 . . . . 4.55 113.033 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 78.1 m -73.38 -59.65 2.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 120.792 -0.363 . . . . 0.73 110.923 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.36 86.01 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.688 0.625 . . . . 0.64 112.688 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.439 ' CD ' ' HB3' ' B' ' 49' ' ' PRO . 10.8 mt-30 -63.97 -43.49 95.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.98 0.419 . . . . 1.04 111.129 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -60.87 -36.73 79.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.793 0.806 . . . . 2.45 108.877 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' B' ' 56' ' ' LEU . 1.5 tp -69.7 -47.52 62.91 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.5 -1.227 . . . . 0.65 110.803 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.61 -63.14 1.25 Allowed 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.687 -0.405 . . . . 1.07 110.332 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.59 0 C-N-CA 118.742 -1.694 . . . . 1.6 110.938 175.322 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo . . . . . 0 N--CA 1.455 -0.767 0 CA-C-O 121.274 0.448 . . . . 1.9 111.38 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.557 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 89.8 t -105.61 171.3 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 106.948 -1.501 . . . . 0.99 106.948 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 9' ' ' VAL . 6.8 p -135.63 163.07 30.97 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 118.16 0.436 . . . . 0.72 110.15 -176.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.643 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -63.62 -16.7 61.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.536 0.684 . . . . 0.66 109.212 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.547 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 47.1 m-85 -77.21 -40.42 45.12 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.275 -0.875 . . . . 0.68 110.184 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.56 -38.48 91.27 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.192 -1.04 . . . . 1.86 108.192 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 5' ' ' THR . 23.1 t -65.31 -42.9 94.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 112.944 -1.934 . . . . 0.66 109.078 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.61 97.31 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.699 -1.137 . . . . 0.65 110.899 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 9.3 mm-40 -69.05 -47.06 66.32 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.077 0.465 . . . . 2.41 110.286 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.576 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 1.8 t80 -61.76 -32.96 73.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.419 -0.81 . . . . 1.68 111.04 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.489 ' HB1' HG22 ' A' ' 38' ' ' VAL . . . -90.0 -20.49 23.21 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.842 -0.617 . . . . 0.71 111.529 -176.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.61 40.6 14.77 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.212 -0.994 . . . . 0.68 110.637 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.459 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.8 m -136.24 -171.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.035 -0.583 . . . . 0.62 109.731 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.3 m -97.78 153.95 17.94 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.815 -0.809 . . . . 1.03 108.815 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.643 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 35.8 p90 -53.11 -45.59 68.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.357 -0.383 . . . . 1.38 111.204 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -23.48 66.93 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.792 -0.363 . . . . 2.08 111.352 176.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.5 m -70.12 -43.29 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.83 -0.804 . . . . 0.61 108.83 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 24' ' ' VAL . 79.6 t -58.79 -46.86 90.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.076 -0.965 . . . . 0.65 110.847 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.9 m -59.06 -28.88 66.87 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.776 0.322 . . . . 1.22 111.44 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -74.6 -28.95 61.13 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.988 -0.551 . . . . 2.65 109.823 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.534 HG22 HG11 ' A' ' 30' ' ' VAL . 95.4 t -79.3 -42.6 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.383 0.611 . . . . 0.92 109.826 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 20' ' ' VAL . 19.4 t -65.55 -53.48 38.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.948 -1.024 . . . . 0.94 111.66 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -82.62 -34.36 27.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.97 1.1 . . . . 1.24 113.97 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 43.0 mt-30 -125.41 -117.72 0.28 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 118.163 0.438 . . . . 4.46 111.196 -177.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 155.89 -29.64 0.0 OUTLIER 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.816 1.323 . . . . 2.66 111.985 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -42.87 -92.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.955 1.094 . . . . 2.08 113.955 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -61.73 42.24 0.01 OUTLIER 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.806 1.242 . . . . 1.63 114.323 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.534 HG11 HG22 ' A' ' 23' ' ' VAL . 2.8 t -135.81 113.89 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.275 0 N-CA-C 108.475 -0.935 . . . . 1.05 108.475 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.1 m -50.63 135.15 23.58 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 123.881 0.738 . . . . 1.29 109.644 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.25 -36.96 53.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.261 -0.427 . . . . 1.09 110.934 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -60.09 -37.69 80.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 3.08 111.471 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -91.23 -42.62 10.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.53 0.567 . . . . 0.98 112.53 -178.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.462 HH11 ' HD3' ' A' ' 35' ' ' ARG . 36.9 ttp180 -55.54 -51.3 67.53 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.204 0.526 . . . . 3.63 112.043 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -69.58 -19.8 63.66 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.352 -0.84 . . . . 1.72 110.736 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -86.4 -28.86 23.3 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.191 -0.459 . . . . 1.44 110.033 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 34' ' ' THR . 83.2 t -74.08 -40.03 51.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.003 -0.74 . . . . 0.68 109.003 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -60.82 -32.02 71.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.626 . . . . 1.7 109.815 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -75.7 -29.81 59.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.054 -0.976 . . . . 0.78 110.726 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.591 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -65.4 -44.22 88.18 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.718 -0.475 . . . . 0.79 109.718 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.445 ' HE3' HG12 ' A' ' 38' ' ' VAL . 37.6 mtt -56.21 -26.53 51.41 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.298 -0.865 . . . . 0.87 112.758 -178.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.68 -24.14 29.1 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.631 0.729 . . . . 0.93 110.397 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 35.3 mm-40 -72.89 -60.92 2.0 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.023 -0.989 . . . . 1.55 112.577 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.719 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -84.53 -5.98 59.34 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.539 -0.755 . . . . 1.79 112.167 -178.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 69.87 66.4 0.23 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.528 0.517 . . . . 2.2 110.892 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.557 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.5 t80 -81.78 126.43 31.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.31 -0.405 . . . . 1.38 111.834 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.77 117.17 34.18 Favored Pre-proline 0 N--CA 1.443 -0.812 0 N-CA-C 109.497 -0.557 . . . . 1.39 109.497 177.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.01 121.44 10.0 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.144 2.563 . . . . 0.78 112.213 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -74.31 99.49 3.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.024 0.44 . . . . 0.69 111.684 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -58.94 -33.07 70.18 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.561 -0.745 . . . . 4.2 112.703 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -40.25 64.83 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 118.118 0.417 . . . . 0.7 110.469 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -68.39 -41.37 80.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.475 -0.935 . . . . 0.53 108.475 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -57.95 -28.94 64.78 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.947 -1.479 . . . . 1.67 109.931 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -83.57 -41.15 18.21 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.593 -0.276 . . . . 2.66 110.401 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.6 tp -56.53 -53.66 54.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.62 0.575 . . . . 0.61 110.886 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.23 -12.23 53.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.735 0.778 . . . . 0.85 109.378 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.194 0 CA-C-N 114.328 -1.306 . . . . 1.86 114.516 -179.675 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 N--CA 1.46 -0.446 0 N-CA-C 109.958 -0.824 . . . . 1.75 109.958 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.754 HG21 ' O ' ' B' ' 45' ' ' LEU . 20.4 t -81.56 153.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.091 -0.959 . . . . 0.83 109.546 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.675 HG22 ' HB2' ' B' ' 50' ' ' ASN . 76.9 p -135.53 171.13 14.89 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.914 -0.585 . . . . 0.68 111.421 -176.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.562 ' HG ' HG11 ' B' ' 20' ' ' VAL . 0.5 OUTLIER -50.21 -29.78 10.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.125 0.488 . . . . 0.66 111.258 178.765 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -71.86 -38.35 70.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.93 -0.577 . . . . 1.22 110.922 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.405 ' CB ' HG13 ' B' ' 4' ' ' VAL . 0.4 OUTLIER -69.1 -31.62 70.46 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.605 0.717 . . . . 1.45 109.258 178.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.711 ' HA ' HD23 ' B' ' 45' ' ' LEU . 29.0 t -71.06 -45.13 73.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.692 -1.14 . . . . 0.55 110.684 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.654 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -59.89 -43.52 94.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.871 -0.604 . . . . 0.63 111.837 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -62.11 -52.84 62.24 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.023 -0.535 . . . . 2.46 112.231 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.585 ' HB3' HD21 ' B' ' 45' ' ' LEU . 62.1 t80 -60.2 -48.97 79.49 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.825 0.676 . . . . 1.39 112.825 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.77 -19.82 63.5 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 112.437 0.532 . . . . 0.69 112.437 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.91 47.46 19.41 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 119.87 -1.157 . . . . 1.09 111.622 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -132.65 165.13 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.238 0 N-CA-C 107.914 -1.143 . . . . 0.62 107.914 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.4 p -68.85 152.02 45.84 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.335 -1.357 . . . . 1.31 107.335 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.449 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -64.18 -17.81 63.87 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 111.717 0.266 . . . . 1.58 111.717 -178.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -25.01 32.84 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.877 -0.786 . . . . 0.89 108.877 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 23' ' ' VAL . 19.7 m -62.59 -36.59 83.21 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.571 -0.74 . . . . 0.64 109.471 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.654 HG21 ' HB2' ' B' ' 10' ' ' ALA . 2.7 t -65.66 -47.75 85.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 114.641 -1.163 . . . . 1.17 109.2 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.7 t -56.34 -48.26 77.13 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.882 -1.155 . . . . 1.13 107.882 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -42.16 64.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.014 -0.994 . . . . 2.87 112.665 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 19' ' ' THR . 77.4 t -75.2 -33.15 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.169 0.509 . . . . 0.86 110.921 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 t -75.67 -33.14 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.809 -0.632 . . . . 1.03 110.897 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -76.12 -82.26 0.08 Allowed 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.581 0.705 . . . . 1.25 110.708 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -154.87 96.78 1.89 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.345 -1.298 . . . . 3.75 109.577 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.12 120.96 5.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.783 -0.644 . . . . 2.36 110.385 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -159.44 -46.11 0.05 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.895 -0.593 . . . . 1.96 111.136 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -103.13 39.1 1.62 Allowed 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.203 -1.036 . . . . 1.34 108.203 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.4 ' CG1' ' HB ' ' B' ' 34' ' ' THR . 3.7 t -137.74 141.15 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.147 -0.933 . . . . 1.1 109.727 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.47 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 72.2 m -75.73 160.23 30.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.066 -0.515 . . . . 0.98 110.468 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.92 -51.89 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.819 0.342 . . . . 1.12 111.584 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -52.79 -59.51 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.518 -0.764 . . . . 3.25 110.937 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.47 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -52.84 -41.08 63.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.682 -1.145 . . . . 0.77 112.103 -179.077 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 21.9 ttp180 -63.15 -48.44 78.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.4 0.619 . . . . 3.59 110.802 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -75.14 -25.55 58.48 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.274 -0.876 . . . . 1.96 112.357 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -68.33 -39.84 81.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.281 0.562 . . . . 1.91 109.695 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.46 ' O ' ' HG3' ' B' ' 42' ' ' MET . 73.9 t -70.15 -40.18 77.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.405 -0.816 . . . . 0.62 110.346 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 36.7 mt-10 -63.42 -40.78 98.1 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.057 -0.52 . . . . 1.68 110.04 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.06 -48.88 76.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.658 -0.701 . . . . 0.77 110.547 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.37 -30.21 27.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.298 -0.865 . . . . 0.65 111.779 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.46 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 58.1 mtt -62.18 -21.74 65.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.117 -0.492 . . . . 0.71 110.564 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.83 -51.41 5.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.348 -0.387 . . . . 0.9 110.823 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.59 -46.89 83.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.263 -0.88 . . . . 1.58 109.855 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.754 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -74.81 -21.87 59.05 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.781 -1.1 . . . . 1.14 110.936 179.256 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t30 64.93 45.61 3.13 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 107.063 -1.458 . . . . 1.24 107.063 -175.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.621 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.3 t80 -59.83 121.09 10.85 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 114.568 -1.196 . . . . 1.46 111.131 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.1 mm -127.05 106.02 22.16 Favored Pre-proline 0 N--CA 1.435 -1.191 0 N-CA-C 104.228 -2.508 . . . . 1.34 104.228 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.457 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 2.1 Cg_exo -34.03 126.29 0.17 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.944 3.096 . . . . 0.72 114.415 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.675 ' HB2' HG22 ' B' ' 5' ' ' THR . 38.8 t-20 -65.93 81.34 0.07 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.193 -0.912 . . . . 0.85 110.714 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -48.14 -25.63 1.55 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 114.259 1.207 . . . . 4.55 114.259 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 16.2 m -77.73 -52.47 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.556 -0.715 . . . . 0.73 110.959 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.56 -34.87 67.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.025 -0.534 . . . . 0.64 110.964 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.457 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 26.0 mt-30 -70.13 -28.32 65.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.914 -0.584 . . . . 1.04 111.938 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -81.26 -22.29 38.81 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.866 -1.161 . . . . 2.45 107.866 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.2 tp -85.39 -39.45 17.58 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.028 -0.987 . . . . 0.65 111.133 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.96 2.49 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.268 0.47 . . . . 1.07 112.268 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.184 0 C-N-CA 120.9 -0.667 . . . . 1.6 113.542 179.503 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo . . . . . 0 CA--C 1.534 0.486 0 CA-C-O 122.002 0.751 . . . . 1.9 113.333 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.622 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 43.8 t -116.29 -179.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 106.453 -1.684 . . . . 0.99 106.453 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.615 ' H ' HG12 ' A' ' 4' ' ' VAL . 8.4 p -140.14 165.5 27.19 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 118.679 0.672 . . . . 0.72 110.398 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -63.78 -20.91 66.14 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.08 -0.964 . . . . 0.66 109.937 177.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -76.1 -36.56 58.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 116.309 -0.405 . . . . 0.68 110.301 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.59 -40.6 95.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.761 -1.2 . . . . 1.86 107.761 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.493 HG21 ' CD2' ' A' ' 47' ' ' TYR . 39.5 t -64.27 -46.28 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 113.942 -1.481 . . . . 0.66 109.7 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.455 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -63.1 -39.19 93.96 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.596 -1.184 . . . . 0.65 111.179 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -66.93 -49.99 63.77 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.127 0.489 . . . . 2.41 110.019 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.682 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.4 t80 -59.37 -34.47 72.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.718 -0.673 . . . . 1.68 111.092 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.617 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -87.82 -19.77 26.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.008 -0.996 . . . . 0.71 112.048 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.54 32.76 54.07 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.182 -1.167 . . . . 0.68 110.182 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.1 m -124.16 -169.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 114.948 -0.626 . . . . 0.62 110.228 -177.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.9 m -100.54 150.49 22.63 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.27 -1.011 . . . . 1.03 108.27 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.512 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.4 p90 -52.45 -39.19 60.79 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.206 -0.598 . . . . 1.38 111.004 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.484 ' NE2' ' HG3' ' A' ' 22' ' ' ARG . 8.0 tp60 -65.32 -27.22 68.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 120.567 -0.453 . . . . 2.08 111.372 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 23' ' ' VAL . 85.1 m -65.29 -41.44 94.14 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.561 -0.903 . . . . 0.61 108.561 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.611 ' O ' HG23 ' A' ' 24' ' ' VAL . 80.5 t -63.91 -55.06 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.623 -1.171 . . . . 0.65 110.086 176.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m -58.38 -26.4 63.15 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.31 -0.405 . . . . 1.22 112.048 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HG3' ' NE2' ' A' ' 18' ' ' GLN . 23.2 mtm-85 -68.81 -32.09 71.56 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.404 -0.591 . . . . 2.65 109.404 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.49 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 58.2 t -85.95 -42.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.703 -0.68 . . . . 0.92 111.083 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 20' ' ' VAL . 21.8 t -63.34 -47.55 91.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.561 -0.745 . . . . 0.94 111.592 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.455 ' C ' ' HG2' ' A' ' 26' ' ' GLN . 9.2 m-80 -66.64 -43.09 85.57 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.77 -0.65 . . . . 1.24 112.501 -178.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.455 ' HG2' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -166.15 -67.08 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.476 0.547 . . . . 4.46 112.476 -178.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.49 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 97.86 145.91 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 125.749 1.619 . . . . 2.66 112.396 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 t -171.64 -89.26 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.274 -1.33 . . . . 2.08 107.844 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -66.56 52.48 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.596 1.158 . . . . 1.63 112.381 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -140.57 129.95 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 N-CA-C 107.229 -1.397 . . . . 1.05 107.229 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.5 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 36.2 m -60.21 132.72 54.81 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 109.343 -0.614 . . . . 1.29 109.343 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.604 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -52.43 -36.97 55.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 1.09 111.097 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -59.67 -42.78 93.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.596 -0.729 . . . . 3.08 110.314 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.5 ' OG1' ' HB2' ' A' ' 31' ' ' SER . 0.0 OUTLIER -72.27 -39.87 68.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.711 -0.222 . . . . 0.98 111.2 -179.066 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 35' ' ' ARG . 41.5 mtm-85 -55.89 -48.78 75.01 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.271 0.557 . . . . 3.63 111.609 179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 14.2 mt-10 -68.96 -19.79 64.17 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.984 -1.007 . . . . 1.72 110.929 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -86.44 -32.24 20.96 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.579 -0.282 . . . . 1.44 110.417 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.544 HG11 ' HA ' ' A' ' 20' ' ' VAL . 53.6 t -74.6 -43.2 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.359 -0.608 . . . . 0.68 109.359 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 33.8 mt-10 -66.05 -21.7 66.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.18 -0.918 . . . . 1.7 110.177 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.737 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -82.67 -35.72 26.59 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.195 -0.911 . . . . 0.78 109.251 177.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.682 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -68.24 -46.21 71.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.282 -0.417 . . . . 0.79 110.266 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.598 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.8 ptp -68.16 -17.96 64.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.398 -0.819 . . . . 0.87 111.424 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.28 -24.11 27.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.305 -0.628 . . . . 0.93 109.305 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.737 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 48.4 mm-40 -72.45 -63.12 1.22 Allowed 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 114.995 -1.002 . . . . 1.55 112.509 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.757 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.75 -0.78 28.3 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.289 -0.869 . . . . 1.79 111.384 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 66.11 65.53 0.51 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.697 0.76 . . . . 2.2 111.937 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.622 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.0 t80 -84.23 125.39 32.17 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.071 -0.968 . . . . 1.38 112.28 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -112.13 114.28 51.24 Favored Pre-proline 0 N--CA 1.443 -0.798 0 CA-C-N 114.861 -1.063 . . . . 1.39 109.47 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -60.55 115.08 2.43 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 121.858 1.706 . . . . 0.78 110.962 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -76.71 103.61 6.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.49 0.662 . . . . 0.69 111.512 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -65.79 -16.42 63.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 4.2 110.642 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.36 -45.43 62.88 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.367 -0.605 . . . . 0.7 109.367 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.673 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -67.42 -38.03 83.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.343 -0.844 . . . . 0.53 109.64 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -61.89 -44.65 96.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.068 -0.969 . . . . 1.67 110.149 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -62.47 -29.02 70.22 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.085 0.469 . . . . 2.66 110.606 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 tp -77.6 -45.53 24.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.977 -0.556 . . . . 0.61 110.842 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.28 -19.72 61.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.88 -0.6 . . . . 0.85 111.327 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.859 0 C-N-CA 120.926 -0.654 . . . . 1.86 111.97 -179.902 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 N--CA 1.452 -0.937 0 CA-C-O 121.194 0.414 . . . . 1.75 111.057 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.627 HG12 ' H ' ' B' ' 5' ' ' THR . 4.9 t -127.82 174.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.455 -0.793 . . . . 0.83 109.947 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.627 ' H ' HG12 ' B' ' 4' ' ' VAL . 17.4 p -136.06 161.75 34.82 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 119.388 -0.339 . . . . 0.68 111.568 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.83 -29.56 55.24 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 123.657 0.598 . . . . 0.66 111.278 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -67.98 -36.97 80.92 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 116.228 -0.442 . . . . 1.22 110.95 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -71.63 -26.71 62.67 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.466 -0.494 . . . . 1.45 109.969 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.0 -44.43 50.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-N 115.925 -0.58 . . . . 0.55 110.047 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.617 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -57.03 -52.71 64.18 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.087 -0.96 . . . . 0.63 111.0 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.23 -51.77 68.35 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.786 -1.097 . . . . 2.46 111.773 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.462 ' CD1' HD21 ' B' ' 45' ' ' LEU . 24.8 t80 -61.17 -53.83 52.05 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.642 0.608 . . . . 1.39 112.642 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.04 69.44 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 120.815 0.34 . . . . 0.69 111.874 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.68 51.49 4.04 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.761 -0.733 . . . . 1.09 111.4 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.545 HG12 HG22 ' B' ' 34' ' ' THR . 16.2 m -136.56 163.93 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.809 0 N-CA-C 108.407 -0.96 . . . . 0.62 108.407 178.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 30.6 p -67.06 157.31 33.86 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.498 -1.297 . . . . 1.31 107.498 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -13.39 61.97 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.84 0.352 . . . . 1.58 110.217 -178.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -85.49 -40.7 16.07 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.306 -1.368 . . . . 0.89 107.306 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -49.74 -35.39 22.0 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.117 -1.402 . . . . 0.64 110.627 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.617 HG21 ' HB2' ' B' ' 10' ' ' ALA . 2.2 t -69.55 -49.43 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.019 -0.991 . . . . 1.17 110.072 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.3 m -52.49 -49.24 65.12 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.247 -1.39 . . . . 1.13 107.247 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -53.04 -46.06 68.3 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 113.711 -1.586 . . . . 2.87 112.861 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.07 -34.8 46.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.58 -0.282 . . . . 0.86 110.892 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.21 -30.45 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-N 115.52 -0.764 . . . . 1.03 111.405 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -97.5 -83.43 0.4 Allowed 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 112.719 0.637 . . . . 1.25 112.719 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -149.97 93.65 2.05 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.363 -0.835 . . . . 3.75 109.703 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.1 124.44 10.18 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.619 -0.719 . . . . 2.36 109.68 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.35 -42.66 1.66 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.322 0.582 . . . . 1.96 111.308 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -122.46 37.94 4.27 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.325 -0.852 . . . . 1.34 108.905 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.13 125.64 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.112 -0.949 . . . . 1.1 111.333 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.492 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 57.3 m -62.74 157.17 21.73 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.61 -0.723 . . . . 0.98 110.578 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.83 -58.3 8.44 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.11 0.782 . . . . 1.12 113.11 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -53.21 -49.5 66.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.313 -0.403 . . . . 3.25 111.711 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.545 HG22 HG12 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -59.43 -33.86 71.79 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 123.601 0.563 . . . . 0.77 111.84 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 36.5 ttp85 -72.82 -42.4 63.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.245 0.545 . . . . 3.59 109.817 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.6 -39.03 77.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.52 -0.763 . . . . 1.96 111.951 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -59.48 -43.37 93.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.279 -0.873 . . . . 1.91 111.542 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' B' ' 42' ' ' MET . 87.5 t -68.22 -37.13 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 CA-C-N 115.618 -0.719 . . . . 0.62 110.761 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.97 -34.87 77.38 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.537 -0.756 . . . . 1.68 109.623 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.93 70.33 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.215 0.531 . . . . 0.77 110.658 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.493 ' O ' HD12 ' B' ' 45' ' ' LEU . . . -55.16 -28.81 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.775 -1.102 . . . . 0.65 112.555 178.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 67.0 mtt -65.54 -20.4 66.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.005 -0.543 . . . . 0.71 110.136 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.85 -54.11 4.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.795 -0.639 . . . . 0.9 111.947 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.47 -56.12 15.07 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.203 1.001 . . . . 1.58 111.884 -179.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.493 HD12 ' O ' ' B' ' 41' ' ' ALA . 2.4 mt -76.91 -8.05 56.66 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.438 -1.71 . . . . 1.14 112.87 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.527 ' O ' HG12 ' B' ' 48' ' ' ILE . 6.1 t-20 57.21 47.21 17.44 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.397 0.618 . . . . 1.24 109.435 -177.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.612 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.0 t80 -57.15 125.82 24.42 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.997 -1.001 . . . . 1.46 109.224 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.527 HG12 ' O ' ' B' ' 46' ' ' ASN . 29.3 mm -134.7 100.36 12.31 Favored Pre-proline 0 N--CA 1.429 -1.5 0 N-CA-C 104.269 -2.493 . . . . 1.34 104.269 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.473 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.1 OUTLIER -30.05 127.65 0.06 OUTLIER 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 124.729 3.62 . . . . 0.72 115.58 -176.641 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.571 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 39.2 t-20 -62.33 87.78 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 115.856 -0.611 . . . . 0.85 109.58 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -53.72 -27.56 28.94 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.991 1.108 . . . . 4.55 113.991 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 56.3 m -77.92 -60.82 2.21 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 111.976 0.362 . . . . 0.73 111.976 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.66 99.35 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.109 -0.496 . . . . 0.64 111.313 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 47.8 mt-30 -56.57 -59.1 5.49 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.312 -0.858 . . . . 1.04 110.07 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -51.1 -27.73 9.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.241 -0.436 . . . . 2.45 110.946 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.673 HD11 ' HB2' ' A' ' 53' ' ' ALA . 2.0 tp -75.43 -46.47 32.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.002 -0.545 . . . . 0.65 110.206 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.1 6.29 3.59 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.852 0.686 . . . . 1.07 112.852 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.683 0 C-N-CA 119.876 -1.154 . . . . 1.6 114.562 178.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo . . . . . 0 CA--C 1.517 -0.338 0 N-CA-C 111.235 -0.333 . . . . 1.9 111.235 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.529 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 65.0 t -117.92 125.21 74.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.777 -1.194 . . . . 0.99 107.777 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 9' ' ' VAL . 18.0 p -99.98 178.27 4.85 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 113.228 0.825 . . . . 0.72 113.228 -176.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.519 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.47 -17.46 64.81 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.657 -1.156 . . . . 0.66 109.835 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -76.04 -41.14 51.74 Favored 'General case' 0 N--CA 1.46 0.06 0 CA-C-N 116.219 -0.446 . . . . 0.68 110.526 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -64.88 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 122.649 1.214 . . . . 1.86 107.792 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 5' ' ' THR . 42.6 t -66.15 -48.24 82.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 112.868 -1.969 . . . . 0.66 110.264 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.98 -39.03 80.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.65 111.22 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -49.99 57.57 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.708 -0.678 . . . . 2.41 111.161 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.47 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 70.5 t80 -66.76 -24.74 66.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.561 -0.29 . . . . 1.68 111.682 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -88.91 -24.49 22.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.851 0.834 . . . . 0.71 110.525 -177.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.45 43.65 15.11 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 110.423 -1.071 . . . . 0.68 110.423 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.443 HG22 ' HB3' ' A' ' 13' ' ' ALA . 27.5 m -135.05 -167.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.714 -0.743 . . . . 0.62 110.057 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.1 p -97.88 151.98 19.68 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.246 -1.39 . . . . 1.03 107.246 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.519 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 16.5 p90 -55.03 -38.2 67.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 109.473 -0.565 . . . . 1.38 109.473 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -33.68 76.2 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.456 -0.793 . . . . 2.08 111.462 177.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.4 m -64.12 -40.98 97.34 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.107 -0.701 . . . . 0.61 109.107 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.667 ' HA ' HG11 ' A' ' 38' ' ' VAL . 43.5 t -59.97 -51.33 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 115.624 -0.716 . . . . 0.65 110.17 177.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -30.55 70.44 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.522 -0.763 . . . . 1.22 110.459 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.62 ' HB3' HG21 ' A' ' 30' ' ' VAL . 39.1 mtt180 -69.74 -31.77 69.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.658 -0.867 . . . . 2.65 108.658 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.61 HG13 ' HG3' ' A' ' 35' ' ' ARG . 78.0 t -80.12 -40.44 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-O 120.828 0.347 . . . . 0.92 110.736 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 20' ' ' VAL . 40.2 t -61.36 -41.21 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-O 121.74 0.781 . . . . 0.94 109.051 178.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -71.32 -33.97 70.13 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.387 -1.279 . . . . 1.24 111.61 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 21.9 mt-30 65.72 53.49 1.18 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.23 0.612 . . . . 4.46 112.136 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.04 -161.27 0.76 Allowed 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.869 -0.605 . . . . 2.66 111.788 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.482 ' O ' HG23 ' A' ' 30' ' ' VAL . 94.2 p -91.93 -173.88 3.63 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.61 -0.723 . . . . 2.08 109.762 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.8 m170 61.31 25.05 15.07 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 122.02 0.914 . . . . 1.63 110.471 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.62 HG21 ' HB3' ' A' ' 22' ' ' ARG . 59.5 t -136.85 126.49 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 114.788 -1.096 . . . . 1.05 110.382 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m -74.02 142.96 45.73 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.599 0.714 . . . . 1.29 111.052 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.78 -30.58 70.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.921 -0.581 . . . . 1.09 110.712 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 10.7 mtpp -60.0 -52.13 66.69 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.197 0.522 . . . . 3.08 110.353 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -66.62 -36.19 81.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.209 -0.45 . . . . 0.98 111.274 -179.445 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.61 ' HG3' HG13 ' A' ' 23' ' ' VAL . 38.8 ttp180 -59.13 -45.69 90.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.332 -0.395 . . . . 3.63 111.51 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.13 -27.07 62.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.898 0.703 . . . . 1.72 112.898 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -82.11 -25.07 34.76 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.489 0.662 . . . . 1.44 110.96 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.667 HG11 ' HA ' ' A' ' 20' ' ' VAL . 69.1 t -80.91 -40.62 18.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.277 -0.874 . . . . 0.68 109.369 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.87 -34.47 73.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.111 -0.95 . . . . 1.7 109.792 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.73 -38.03 79.89 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.509 -1.223 . . . . 0.78 110.204 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.53 89.36 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.327 -0.852 . . . . 0.79 110.614 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 23.7 mtt -61.29 -27.91 68.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.864 0.69 . . . . 0.87 112.864 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.29 -32.39 24.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.589 0.709 . . . . 0.93 110.34 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.47 ' HG3' ' CE2' ' A' ' 12' ' ' TYR . 21.1 mm-40 -65.64 -57.63 7.64 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-N 114.697 -1.138 . . . . 1.55 110.576 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.409 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -82.92 -9.11 59.46 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.288 -1.324 . . . . 1.79 112.543 -177.642 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.401 ' O ' HD12 ' A' ' 48' ' ' ILE . 17.4 m120 62.21 58.81 1.72 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.84 0.829 . . . . 2.2 109.091 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.529 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 5.7 t80 -76.35 125.45 29.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.667 -1.151 . . . . 1.38 111.315 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 46' ' ' ASN . 3.4 mp -106.52 113.1 63.45 Favored Pre-proline 0 N--CA 1.441 -0.908 0 N-CA-C 109.179 -0.674 . . . . 1.39 109.179 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.04 126.76 17.85 Favored 'Trans proline' 0 N--CA 1.475 0.421 0 C-N-CA 122.832 2.355 . . . . 0.78 111.888 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -85.45 98.6 10.69 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.504 0.668 . . . . 0.69 112.065 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -19.15 63.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.487 -0.779 . . . . 4.2 111.057 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.462 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -77.85 -37.36 48.54 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.261 -0.882 . . . . 0.7 110.003 -179.741 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.884 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -78.41 -41.97 31.54 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.301 0.572 . . . . 0.53 109.978 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -61.43 -31.6 71.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.566 -0.743 . . . . 1.67 110.21 179.218 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.59 -25.95 50.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.287 -0.634 . . . . 2.66 109.287 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.479 HD22 HD22 ' B' ' 56' ' ' LEU . 11.2 tp -63.13 -53.65 50.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.559 -0.746 . . . . 0.61 110.199 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.64 -15.04 58.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.491 0.662 . . . . 0.85 110.501 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.08 0 CA-C-N 115.464 -0.789 . . . . 1.86 111.468 178.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.456 -0.679 0 CA-C-O 121.11 0.379 . . . . 1.75 112.032 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.695 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 54.5 t -107.07 164.15 4.84 Favored 'Isoleucine or valine' 0 C--O 1.243 0.745 0 N-CA-C 108.866 -0.79 . . . . 0.83 108.866 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.4 p -132.9 162.26 32.07 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 119.978 -0.689 . . . . 0.68 110.279 -177.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.53 -28.31 59.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.672 0.272 . . . . 0.66 110.905 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -67.76 -35.0 77.92 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.629 0.728 . . . . 1.22 111.139 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -71.12 -34.46 71.09 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.26 -0.645 . . . . 1.45 109.26 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.615 ' HA ' HD23 ' B' ' 45' ' ' LEU . 60.5 t -68.67 -40.9 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.219 -0.9 . . . . 0.55 110.848 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.671 ' HB2' HG11 ' B' ' 20' ' ' VAL . . . -62.44 -52.23 64.34 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.499 -0.773 . . . . 0.63 111.446 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.28 -49.53 77.26 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.238 -0.892 . . . . 2.46 112.603 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.487 ' CB ' HD21 ' B' ' 45' ' ' LEU . 56.9 t80 -57.91 -43.53 86.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.435 0.531 . . . . 1.39 112.435 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.452 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -75.64 -21.94 57.25 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.675 -0.41 . . . . 0.69 111.502 -177.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.81 46.44 5.99 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.76 -0.733 . . . . 1.09 112.71 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 m -135.24 167.29 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 N-CA-C 108.438 -0.949 . . . . 0.62 108.438 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.7 m -74.41 163.79 27.37 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 120.182 -0.607 . . . . 1.31 109.657 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.495 ' O ' HG12 ' B' ' 20' ' ' VAL . 0.2 OUTLIER -64.49 -40.73 96.21 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 120.873 0.368 . . . . 1.58 110.771 -178.314 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -62.06 -31.98 72.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.231 -0.918 . . . . 0.89 111.03 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -59.8 -49.9 75.91 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.646 0.779 . . . . 0.64 112.071 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.671 HG11 ' HB2' ' B' ' 10' ' ' ALA . 5.3 p -62.95 -43.8 99.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 115.75 -0.659 . . . . 1.17 111.242 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -48.83 74.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.146 -1.057 . . . . 1.13 108.146 177.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -52.4 -37.14 55.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.848 -1.069 . . . . 2.87 112.483 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.3 t -69.16 -40.58 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.437 -0.579 . . . . 0.86 109.437 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.13 -35.89 73.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-O 121.627 0.727 . . . . 1.03 109.181 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -9.36 58.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.803 -0.635 . . . . 1.25 110.903 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 55.74 44.14 26.74 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.994 -0.743 . . . . 3.75 108.994 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.94 161.79 25.72 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.863 -1.062 . . . . 2.36 111.259 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -28.02 27.9 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.409 -0.814 . . . . 1.96 111.898 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -83.66 47.04 1.23 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.066 -0.516 . . . . 1.34 110.982 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -137.28 120.6 21.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.09 -0.504 . . . . 1.1 109.951 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.448 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 69.9 m -66.74 151.96 46.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.078 -0.51 . . . . 0.98 110.339 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.59 75.92 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 120.694 0.283 . . . . 1.12 111.618 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -58.62 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.316 0.579 . . . . 3.25 111.656 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.45 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -56.52 -40.63 75.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.421 -1.263 . . . . 0.77 111.507 179.691 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 tpp85 -61.46 -50.35 73.13 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 123.289 0.368 . . . . 3.59 110.852 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.08 -31.59 71.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.974 -0.557 . . . . 1.96 112.455 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.452 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 2.1 ttpt -63.9 -40.77 97.26 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.933 0.873 . . . . 1.91 110.139 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.512 ' CG1' HG23 ' B' ' 20' ' ' VAL . 98.0 t -72.54 -43.07 63.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.845 -1.071 . . . . 0.62 111.412 -178.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -64.0 -34.9 79.05 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.13 0.49 . . . . 1.68 110.231 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.45 -46.24 67.2 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.823 -0.626 . . . . 0.77 110.044 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.91 -30.19 57.86 Favored 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 123.54 0.525 . . . . 0.65 111.605 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 63.3 mtt -63.03 -22.53 66.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.921 0.763 . . . . 0.71 110.009 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.95 -46.95 8.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 O-C-N 123.461 0.475 . . . . 0.9 110.769 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -44.46 85.96 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.808 -0.812 . . . . 1.58 108.808 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.653 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -74.61 -19.51 60.28 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 114.848 -1.069 . . . . 1.14 113.296 -179.326 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.418 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.8 OUTLIER 64.59 41.9 5.15 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 107.098 -1.445 . . . . 1.24 107.098 -175.385 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.695 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -55.21 124.8 18.13 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 114.223 -1.353 . . . . 1.46 111.607 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.418 HG12 ' O ' ' B' ' 46' ' ' ASN . 17.6 mm -134.53 99.58 12.93 Favored Pre-proline 0 N--CA 1.439 -0.996 0 N-CA-C 103.645 -2.724 . . . . 1.34 103.645 176.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -31.49 127.84 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 124.744 3.629 . . . . 0.72 115.595 -175.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -71.0 78.2 0.65 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 114.953 -1.022 . . . . 0.85 110.061 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.581 ' O ' ' HG3' ' B' ' 55' ' ' GLN . 8.0 tpp180 -52.79 -16.71 1.06 Allowed 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 115.18 -0.918 . . . . 4.55 113.018 -177.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.462 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 68.9 m -67.86 -60.99 2.09 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 121.488 0.661 . . . . 0.73 109.732 178.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.51 -25.67 41.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.259 -0.882 . . . . 0.64 111.126 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.55 ' HB2' ' HA ' ' B' ' 51' ' ' ARG . 3.6 mt-30 -61.78 -36.28 80.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.024 -0.534 . . . . 1.04 110.135 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' B' ' 51' ' ' ARG . 37.7 mt-30 -70.63 -50.83 32.78 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 107.881 -1.155 . . . . 2.45 107.881 178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' A' ' 53' ' ' ALA . 5.9 mp -52.53 -41.44 63.49 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.247 -0.888 . . . . 0.65 111.394 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.51 -6.73 54.61 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 113.865 1.061 . . . . 1.07 113.865 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.531 0 C-N-CA 119.197 -1.478 . . . . 1.6 113.906 177.466 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo . . . . . 0 N--CA 1.458 -0.581 0 N-CA-C 111.249 -0.327 . . . . 1.9 111.249 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.667 HG11 ' HG ' ' A' ' 45' ' ' LEU . 19.4 t -51.57 162.38 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.304 -0.998 . . . . 0.99 108.304 176.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.8 p -126.92 171.32 11.39 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.587 0.708 . . . . 0.72 110.669 -174.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -61.99 -21.64 65.01 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.947 -1.024 . . . . 0.66 109.51 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -77.44 -35.3 54.11 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.231 -0.44 . . . . 0.68 110.965 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.602 ' HB2' HG13 ' A' ' 4' ' ' VAL . 4.4 m-20 -65.77 -43.27 89.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.444 -1.317 . . . . 1.86 107.444 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 5' ' ' THR . 21.6 t -61.87 -46.44 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 113.218 -1.81 . . . . 0.66 109.736 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.441 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -59.43 -35.64 74.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.082 -0.963 . . . . 0.65 111.016 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -71.71 -46.55 58.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.347 0.594 . . . . 2.41 110.234 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.721 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.3 t80 -64.43 -37.44 87.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 122.141 0.972 . . . . 1.68 110.457 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.491 ' O ' ' HD2' ' A' ' 37' ' ' LYS . . . -87.39 -15.19 38.53 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 114.519 -1.218 . . . . 0.71 110.681 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.85 48.0 57.45 Favored Glycine 0 N--CA 1.437 -1.24 0 N-CA-C 111.117 -0.793 . . . . 0.68 111.117 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 27.2 m -135.57 -170.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.149 0 CA-C-N 114.825 -0.688 . . . . 0.62 109.164 -178.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.7 m -95.78 163.91 12.97 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.731 -1.211 . . . . 1.03 107.731 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.482 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.2 p90 -67.0 -35.17 79.35 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.26 -0.976 . . . . 1.38 109.792 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -63.27 -32.85 74.36 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.416 -0.586 . . . . 2.08 109.416 177.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.508 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 21.5 m -60.83 -46.59 89.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.259 0.552 . . . . 0.61 110.214 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.547 ' O ' HG23 ' A' ' 24' ' ' VAL . 25.3 t -56.81 -47.58 82.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.424 -0.807 . . . . 0.65 110.504 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 12.1 m -66.3 -21.78 66.27 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.211 -0.45 . . . . 1.22 110.594 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' A' ' 19' ' ' THR . 32.5 mmt180 -68.11 -37.55 81.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.871 -0.418 . . . . 2.65 109.871 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.411 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 59.6 t -86.99 -43.1 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 112.655 0.613 . . . . 0.92 112.655 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.7 t -61.98 -44.59 99.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.747 -0.66 . . . . 0.94 111.307 -178.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.542 ' HB2' ' O ' ' A' ' 21' ' ' SER . 5.1 m-80 -70.63 -40.28 73.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.329 -0.85 . . . . 1.24 113.138 -177.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -160.42 -59.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.928 0.714 . . . . 4.46 112.928 -177.24 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 26' ' ' GLN . . . 86.76 131.64 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 124.722 1.209 . . . . 2.66 109.764 -178.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.7 t -168.48 -88.29 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.121 -1.066 . . . . 2.08 108.121 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -70.16 49.78 0.11 Allowed 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.256 1.022 . . . . 1.63 111.294 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.74 126.15 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 107.375 -1.342 . . . . 1.05 107.375 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.63 141.11 57.92 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.424 -0.51 . . . . 1.29 109.936 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.53 -36.52 45.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 1.09 111.009 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -51.52 -42.18 61.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.467 -0.788 . . . . 3.08 110.795 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -86.93 -45.84 10.44 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.025 -0.989 . . . . 0.98 112.627 -178.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -51.75 -45.38 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.573 0.583 . . . . 3.63 112.573 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -77.03 -17.69 58.64 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.906 -0.588 . . . . 1.72 111.09 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HD2' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -88.57 -28.77 20.5 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.68 -0.691 . . . . 1.44 110.448 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 34' ' ' THR . 98.4 t -78.42 -45.5 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-O 121.32 0.581 . . . . 0.68 109.534 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -64.0 -23.39 67.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.272 -0.877 . . . . 1.7 109.785 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.36 -33.44 42.93 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.354 -0.839 . . . . 0.78 109.889 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -65.83 -42.71 90.24 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.042 -0.981 . . . . 0.79 110.285 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.413 ' HE3' HG12 ' A' ' 38' ' ' VAL . 24.5 mtt -60.47 -23.33 64.38 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.77 0.669 . . . . 0.87 112.565 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.55 -30.48 29.66 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.911 -0.774 . . . . 0.93 108.911 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 28.1 mm-40 -69.08 -62.65 1.29 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.751 -1.113 . . . . 1.55 112.549 -178.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.754 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -80.61 -7.82 59.4 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.478 -0.783 . . . . 1.79 111.683 -179.347 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 67.12 68.89 0.39 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.518 0.675 . . . . 2.2 111.26 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.593 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.7 t80 -83.82 128.96 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.22 -0.9 . . . . 1.38 111.83 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.3 mp -111.53 109.41 55.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.959 -0.756 . . . . 1.39 108.959 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.39 117.84 4.71 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.322 2.015 . . . . 0.78 112.965 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -78.37 99.57 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.69 111.913 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -8.18 26.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 4.2 110.132 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -83.64 -35.04 24.9 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.64 -0.504 . . . . 0.7 109.64 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.502 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -80.28 -30.87 38.36 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.216 0.532 . . . . 0.53 109.81 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.63 -41.07 98.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.685 -1.143 . . . . 1.67 108.387 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -68.62 -26.39 65.33 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.041 -0.981 . . . . 2.66 110.545 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tp -73.89 -48.91 27.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.364 0.602 . . . . 0.61 110.322 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.72 -20.22 66.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.391 -0.822 . . . . 0.85 112.649 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.781 0 C-N-CA 120.002 -1.094 . . . . 1.86 112.899 -178.498 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 N--CA 1.456 -0.697 0 CA-C-O 121.906 0.711 . . . . 1.75 112.031 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.713 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 6.2 t -109.68 177.37 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 114.642 -1.163 . . . . 0.83 108.477 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.681 ' H ' HG12 ' B' ' 4' ' ' VAL . 10.9 p -137.14 158.75 43.75 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 118.987 -0.53 . . . . 0.68 110.235 -178.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.633 ' HG ' HG11 ' B' ' 20' ' ' VAL . 0.9 OUTLIER -53.94 -31.08 49.22 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 124.631 1.207 . . . . 0.66 110.438 177.557 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -68.33 -40.01 81.73 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 123.495 0.497 . . . . 1.22 111.022 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.427 ' HB2' HG12 ' B' ' 4' ' ' VAL . 13.7 m-20 -62.95 -36.96 85.2 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.807 -0.812 . . . . 1.45 108.807 178.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.29 -44.4 97.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.243 -0.89 . . . . 0.55 109.514 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.472 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -55.9 -58.61 7.17 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.721 -0.672 . . . . 0.63 111.337 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.97 -41.06 82.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.777 0.658 . . . . 2.46 112.777 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -67.67 -49.39 63.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.956 0.408 . . . . 1.39 111.434 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -24.86 66.78 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 112.382 0.512 . . . . 0.69 112.382 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.0 46.42 5.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 119.981 -1.104 . . . . 1.09 111.572 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 29.3 m -142.54 169.76 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 109.042 -0.725 . . . . 0.62 109.042 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -72.51 158.07 36.41 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 108.129 -1.063 . . . . 1.31 108.129 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -45.72 92.52 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 110.298 -0.26 . . . . 1.58 110.298 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -56.08 -34.18 65.74 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.157 0.503 . . . . 0.89 110.87 176.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.6 m -55.43 -37.56 67.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.126 -0.943 . . . . 0.64 109.916 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.633 HG11 ' HG ' ' B' ' 6' ' ' LEU . 16.8 t -68.6 -50.09 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.114 -0.948 . . . . 1.17 110.437 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 40.4 m -56.79 -45.19 82.33 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.165 -1.05 . . . . 1.13 108.165 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -48.92 -40.27 29.43 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 113.851 -1.522 . . . . 2.87 112.026 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.16 -43.8 43.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.425 0.631 . . . . 0.86 110.16 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 20' ' ' VAL . 50.7 t -57.29 -50.99 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.03 -0.986 . . . . 1.03 112.137 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -66.28 -79.47 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 122.126 0.965 . . . . 1.25 111.223 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -168.81 85.96 0.17 Allowed 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 113.933 -1.485 . . . . 3.75 109.448 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.81 141.69 26.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 2.36 110.843 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 29.1 t -137.33 -71.46 0.44 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.564 -0.902 . . . . 1.96 108.564 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -81.43 47.32 1.03 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.295 -0.866 . . . . 1.34 109.315 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -130.54 148.43 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 1.1 111.053 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.36 143.03 30.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.918 -0.583 . . . . 0.98 109.515 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.18 -45.02 68.35 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.316 0.385 . . . . 1.12 111.426 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' B' ' 34' ' ' THR . 7.3 ttpp -51.76 -56.85 11.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.964 -0.562 . . . . 3.25 110.816 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.459 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.4 OUTLIER -62.01 -35.72 79.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.898 -0.592 . . . . 0.77 112.002 -179.769 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -64.32 -48.34 75.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.8 -0.636 . . . . 3.59 111.161 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -72.04 -28.06 63.12 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.88 -0.6 . . . . 1.96 110.959 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -66.31 -41.24 89.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 1.91 110.561 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 34' ' ' THR . 99.7 t -65.63 -42.57 93.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.142 -0.481 . . . . 0.62 110.504 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 42' ' ' MET . 8.8 mt-10 -69.72 -32.18 70.6 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.534 -0.467 . . . . 1.68 110.946 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.8 -39.58 87.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.342 0.591 . . . . 0.77 109.604 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.412 ' O ' HD12 ' B' ' 45' ' ' LEU . . . -60.13 -30.95 69.63 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.651 -0.704 . . . . 0.65 110.179 178.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' B' ' 39' ' ' GLU . 45.2 mtt -63.14 -21.69 66.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.054 -0.975 . . . . 0.71 110.022 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.59 -47.63 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.744 -0.662 . . . . 0.9 110.639 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -50.66 -60.4 3.07 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.855 0.836 . . . . 1.58 112.252 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.5 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -80.4 -1.17 40.21 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 113.981 -1.463 . . . . 1.14 112.34 -177.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.09 47.43 11.92 Favored 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 109.599 -0.519 . . . . 1.24 109.599 -176.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.713 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.7 t80 -59.71 121.82 12.6 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 116.015 -0.539 . . . . 1.46 110.351 -178.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.5 mm -128.66 103.51 19.44 Favored Pre-proline 0 N--CA 1.438 -1.03 0 N-CA-C 103.695 -2.706 . . . . 1.34 103.695 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.439 ' HB3' ' CD ' ' B' ' 54' ' ' GLN . 0.5 OUTLIER -30.73 122.48 0.07 OUTLIER 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 124.871 3.714 . . . . 0.72 114.391 -177.453 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -56.49 91.66 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.364 -0.835 . . . . 0.85 110.962 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -49.43 -34.65 17.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.393 -0.821 . . . . 4.55 112.791 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 56.6 m -66.95 -62.93 1.19 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.187 0.518 . . . . 0.73 111.645 -178.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.39 67.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.592 -0.731 . . . . 0.64 112.475 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.439 ' CD ' ' HB3' ' B' ' 49' ' ' PRO . 5.7 mt-30 -64.48 -34.24 77.76 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.653 -0.419 . . . . 1.04 110.824 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -46.71 78.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.094 -1.076 . . . . 2.45 108.094 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 53' ' ' ALA . 4.8 mp -57.43 -50.81 71.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.191 -1.368 . . . . 0.65 111.102 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -5.39 35.91 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.369 -0.378 . . . . 1.07 111.605 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.371 0 C-N-CA 121.151 -0.547 . . . . 1.6 112.72 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 N--CA 1.448 -1.148 0 N-CA-C 108.845 -1.252 . . . . 1.9 108.845 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.675 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 69.0 t -116.75 176.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 115.501 -0.772 . . . . 0.99 109.827 -176.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 9' ' ' VAL . 26.8 p -133.25 164.53 26.87 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.078 -0.712 . . . . 0.72 109.078 -178.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.19 -16.62 62.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.091 0.472 . . . . 0.66 110.798 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -78.42 -39.58 38.4 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.639 -0.709 . . . . 0.68 110.331 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.22 -35.2 79.8 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.843 0.83 . . . . 1.86 109.511 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 5' ' ' THR . 24.0 t -67.02 -42.84 89.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 113.417 -1.72 . . . . 0.66 108.816 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -62.49 -41.41 98.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.326 -0.852 . . . . 0.65 110.933 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.87 -51.86 59.73 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.786 -0.643 . . . . 2.41 111.315 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 61.4 t80 -69.28 -24.1 63.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.46 -0.336 . . . . 1.68 111.286 -178.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -86.57 -25.69 24.87 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-O 121.304 0.573 . . . . 0.71 109.807 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.48 40.3 13.26 Favored Glycine 0 CA--C 1.503 -0.708 0 N-CA-C 110.042 -1.223 . . . . 0.68 110.042 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.4 m -133.22 -176.95 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 114.79 -0.705 . . . . 0.62 109.905 -177.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -91.05 154.43 19.41 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.435 -0.95 . . . . 1.03 108.435 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.454 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 17.7 p90 -55.66 -41.79 74.15 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.676 -0.81 . . . . 1.38 110.833 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -62.96 -24.62 67.97 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.322 -0.399 . . . . 2.08 110.981 177.218 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 23' ' ' VAL . 28.5 m -67.84 -40.66 83.7 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.455 -0.942 . . . . 0.61 108.455 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 24' ' ' VAL . 78.3 t -64.66 -54.05 34.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.546 -1.206 . . . . 0.65 110.99 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.6 t -60.34 -27.89 67.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.354 -0.839 . . . . 1.22 110.844 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 4.4 ttp180 -73.15 -27.53 61.71 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.242 -0.651 . . . . 2.65 109.242 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 19' ' ' THR . 53.1 t -82.39 -40.67 17.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.435 -0.802 . . . . 0.92 110.204 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 20' ' ' VAL . 12.3 t -66.65 -55.74 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.634 -0.712 . . . . 0.94 112.359 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -77.81 -26.08 49.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 113.874 1.064 . . . . 1.24 113.874 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 33.3 mt-30 -137.34 -113.39 0.17 Allowed 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 119.806 -0.757 . . . . 4.46 111.233 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 156.73 -32.67 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 107.581 -1.266 . . . . 2.66 107.581 -177.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 p -69.33 152.8 44.55 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.353 -1.294 . . . . 2.08 108.085 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 69.42 23.83 5.97 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.494 -0.928 . . . . 1.63 108.494 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.9 t -144.18 136.78 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 114.601 -1.182 . . . . 1.05 109.037 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.447 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 58.3 m -73.95 145.32 44.78 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.422 -1.263 . . . . 1.29 109.55 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.97 -39.25 71.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.435 -0.348 . . . . 1.09 110.503 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -57.57 -41.53 81.26 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.286 0.565 . . . . 3.08 110.772 179.526 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -75.45 -41.24 56.21 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.679 0.622 . . . . 0.98 112.679 -179.356 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -56.35 -48.64 76.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.117 0.414 . . . . 3.63 112.117 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 2.5 mt-10 -70.51 -30.61 67.42 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.807 -0.633 . . . . 1.72 111.965 -177.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 11.5 ptpt -79.4 -25.62 42.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.293 0.568 . . . . 1.44 110.369 -177.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.681 HG11 ' HA ' ' A' ' 20' ' ' VAL . 69.1 t -83.41 -40.69 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.465 -0.789 . . . . 0.68 109.358 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -65.38 -27.13 68.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.433 -0.803 . . . . 1.7 109.699 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.605 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.72 -38.47 62.29 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.718 -0.674 . . . . 0.78 110.385 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.12 91.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.937 -0.574 . . . . 0.79 110.817 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.491 ' HE3' HG12 ' A' ' 38' ' ' VAL . 30.7 mtt -61.26 -30.53 70.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.887 -0.597 . . . . 0.87 111.515 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.18 -35.91 30.82 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.668 0.746 . . . . 0.93 109.71 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 25.9 mm-40 -61.61 -59.34 5.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.52 -1.218 . . . . 1.55 111.523 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -82.1 -12.59 58.14 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.778 -1.556 . . . . 1.79 113.077 -178.421 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 68.47 63.54 0.34 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.485 0.659 . . . . 2.2 110.487 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.675 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.4 t80 -83.69 124.42 30.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.804 -0.635 . . . . 1.38 110.667 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.57 112.51 51.25 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.728 -0.471 . . . . 1.39 109.728 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -53.5 114.88 1.96 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.709 2.273 . . . . 0.78 111.951 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.577 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 35.3 m-20 -73.06 100.74 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.466 -0.788 . . . . 0.69 111.262 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.641 ' HD3' ' OE1' ' A' ' 54' ' ' GLN . 32.2 mmt180 -58.98 -31.67 68.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.908 -1.042 . . . . 4.2 112.139 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -40.82 66.44 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 109.736 -0.468 . . . . 0.7 109.736 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.87 -47.0 82.43 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.84 -0.8 . . . . 0.53 108.84 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.641 ' OE1' ' HD3' ' A' ' 51' ' ' ARG . 53.9 mt-30 -56.22 -47.86 77.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.27 -0.877 . . . . 1.67 109.938 177.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -61.05 -32.86 72.48 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.154 -0.475 . . . . 2.66 110.929 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.25 -52.97 13.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.094 -0.503 . . . . 0.61 111.771 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.23 -17.54 60.31 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.617 0.599 . . . . 0.85 112.617 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.699 0 C-N-CA 120.239 -0.981 . . . . 1.86 113.079 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo . . . . . 0 N--CA 1.452 -0.969 0 N-CA-C 110.372 -0.665 . . . . 1.75 110.372 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.666 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 86.6 t -114.93 163.62 12.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 CA-C-N 115.558 -0.746 . . . . 0.83 109.752 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.461 ' N ' HG12 ' B' ' 4' ' ' VAL . 17.2 p -128.47 154.96 45.54 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.211 -0.662 . . . . 0.68 109.211 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.44 HD11 HG12 ' B' ' 20' ' ' VAL . 2.0 tt -54.08 -24.88 19.07 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 121.785 -0.572 . . . . 0.66 111.842 176.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.47 ' CE1' ' CE1' ' B' ' 17' ' ' TYR . 41.0 m-85 -64.06 -35.63 81.38 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.05 -0.977 . . . . 1.22 110.387 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.55 -36.73 76.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.274 -0.876 . . . . 1.45 109.781 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.543 ' HA ' HD23 ' B' ' 45' ' ' LEU . 47.3 t -68.22 -48.38 73.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.395 -0.821 . . . . 0.55 110.622 -178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -52.65 62.86 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.548 0.69 . . . . 0.63 110.643 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.48 -55.21 34.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.624 -1.171 . . . . 2.46 111.343 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.566 ' CB ' HD21 ' B' ' 45' ' ' LEU . 39.6 t80 -55.05 -51.54 66.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.228 -0.896 . . . . 1.39 113.05 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.868 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -66.82 -21.1 66.04 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.518 0.562 . . . . 0.69 112.518 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.14 43.78 7.36 Favored Glycine 0 N--CA 1.437 -1.293 0 C-N-CA 120.581 -0.819 . . . . 1.09 111.615 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.412 ' HB ' HG21 ' B' ' 19' ' ' THR . 17.2 m -137.32 166.25 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.229 0 N-CA-C 108.191 -1.04 . . . . 0.62 108.191 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 63.9 m -78.98 166.37 22.43 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 119.674 -0.81 . . . . 1.31 110.647 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.47 ' CE1' ' CE1' ' B' ' 7' ' ' TYR . 19.8 t80 -52.65 -54.6 31.11 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.161 0.984 . . . . 1.58 111.186 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -57.41 -31.17 65.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.986 -1.006 . . . . 0.89 112.116 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.412 HG21 ' HB ' ' B' ' 15' ' ' VAL . 2.6 m -59.22 -46.36 88.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.189 0.995 . . . . 0.64 109.778 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.44 HG12 HD11 ' B' ' 6' ' ' LEU . 58.5 t -72.9 -48.84 43.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 113.847 -1.524 . . . . 1.17 110.606 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 15.9 m -61.29 -18.67 59.66 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 113.345 0.869 . . . . 1.13 113.345 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -92.1 -20.36 21.35 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 121.049 1.75 . . . . 2.87 107.749 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 19' ' ' THR . 53.0 t -75.72 -38.65 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 N-CA-C 108.333 -0.988 . . . . 0.86 108.333 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.09 -27.93 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 CA-C-N 114.899 -1.046 . . . . 1.03 108.457 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -83.65 -16.2 45.99 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.991 -0.549 . . . . 1.25 110.237 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 67.81 32.81 5.11 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.483 -0.78 . . . . 3.75 109.973 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.94 173.42 12.18 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.753 -0.658 . . . . 2.36 111.438 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 3.9 p -95.72 -179.09 4.61 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.899 -0.591 . . . . 1.96 110.429 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' B' ' 28' ' ' SER . 18.5 m170 69.33 43.29 1.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.224 0.609 . . . . 1.34 111.074 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.5 132.96 45.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.612 -0.722 . . . . 1.1 109.092 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.648 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 70.1 m -70.13 152.49 44.26 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.928 -0.578 . . . . 0.98 110.56 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.1 73.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 1.12 111.234 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -53.75 -54.16 42.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.17 0.509 . . . . 3.25 110.99 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.648 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.3 OUTLIER -54.0 -38.85 65.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.405 -0.816 . . . . 0.77 112.539 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -65.54 -48.76 71.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.118 0.485 . . . . 3.59 110.468 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.13 -32.25 72.4 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.908 -1.042 . . . . 1.96 111.657 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.868 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 12.5 tppt? -62.12 -40.28 95.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.749 -0.66 . . . . 1.91 110.241 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 34' ' ' THR . 59.7 t -73.03 -38.36 55.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.376 -0.829 . . . . 0.62 111.233 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -64.95 -33.91 77.16 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.425 0.631 . . . . 1.68 109.746 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.77 47.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.226 -0.897 . . . . 0.77 110.631 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.429 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -55.0 -29.32 57.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.041 -0.981 . . . . 0.65 113.248 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.505 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 58.4 mtt -65.0 -21.85 66.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.662 -0.699 . . . . 0.71 109.879 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.63 -49.71 7.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.351 -0.841 . . . . 0.9 110.712 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -53.26 60.33 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.644 0.735 . . . . 1.58 112.06 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.571 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -67.67 -19.43 65.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.315 -0.857 . . . . 1.14 111.386 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.544 ' O ' HG12 ' B' ' 48' ' ' ILE . 1.0 OUTLIER 65.84 43.54 3.08 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.047 -1.464 . . . . 1.24 107.047 -176.006 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.666 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.0 t80 -51.49 121.07 5.79 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 114.376 -1.284 . . . . 1.46 110.353 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.544 HG12 ' O ' ' B' ' 46' ' ' ASN . 34.1 mm -134.41 93.92 18.26 Favored Pre-proline 0 N--CA 1.435 -1.177 0 N-CA-C 103.864 -2.643 . . . . 1.34 103.864 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.413 ' HB3' ' CD ' ' B' ' 54' ' ' GLN . 1.0 OUTLIER -29.56 124.78 0.06 OUTLIER 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 124.842 3.695 . . . . 0.72 115.511 -176.512 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -59.41 85.01 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.565 -0.743 . . . . 0.85 109.683 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -53.42 -21.74 6.52 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.481 0.919 . . . . 4.55 113.481 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.72 -62.1 1.57 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.339 0.59 . . . . 0.73 109.979 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.15 84.69 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.588 -0.733 . . . . 0.64 110.439 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.413 ' CD ' ' HB3' ' B' ' 49' ' ' PRO . 6.8 mt-30 -63.46 -29.24 70.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.251 -0.886 . . . . 1.04 112.093 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -82.45 -21.26 35.7 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.921 -0.77 . . . . 2.45 108.921 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tp -81.99 -40.48 22.09 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.263 -0.881 . . . . 0.65 109.785 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.55 -4.31 58.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.588 -0.278 . . . . 1.07 111.05 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.505 0 CA-C-O 119.439 -0.645 . . . . 1.6 114.023 -179.714 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo . . . . . 0 N--CA 1.451 -1.01 0 CA-C-O 121.433 0.514 . . . . 1.9 112.74 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 48.4 t -116.36 175.75 2.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 107.211 -1.403 . . . . 0.99 107.211 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.2 p -133.35 163.07 30.16 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.356 -0.609 . . . . 0.72 109.356 -178.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.469 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -67.76 -17.08 64.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.388 -0.597 . . . . 0.66 109.388 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -76.49 -38.65 54.95 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.799 -0.637 . . . . 0.68 109.746 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.91 -40.95 95.06 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 122.489 1.138 . . . . 1.86 108.099 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 5' ' ' THR . 18.2 t -66.88 -45.96 86.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 113.259 -1.791 . . . . 0.66 110.525 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.43 -32.9 71.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.227 -0.897 . . . . 0.65 110.106 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -75.89 -46.82 28.08 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.643 -0.708 . . . . 2.41 109.783 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.591 ' CD2' HD13 ' A' ' 45' ' ' LEU . 2.2 t80 -62.09 -33.32 74.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.463 -0.79 . . . . 1.68 110.997 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.16 -19.98 24.81 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.811 -1.086 . . . . 0.71 111.179 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.32 45.89 22.76 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.448 -1.061 . . . . 0.68 110.448 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -137.64 -167.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 123.354 0.661 . . . . 0.62 109.813 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -102.11 156.93 17.24 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.308 -0.627 . . . . 1.03 109.308 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.469 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.4 p90 -56.17 -43.55 78.46 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.122 -0.631 . . . . 1.38 110.882 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 11.7 tp60 -60.67 -26.87 67.41 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 110.344 -0.243 . . . . 2.08 110.344 176.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.2 m -65.6 -48.22 73.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.588 -0.893 . . . . 0.61 108.588 178.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.627 ' O ' HG23 ' A' ' 24' ' ' VAL . 69.7 t -59.83 -54.57 32.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.495 -1.23 . . . . 0.65 110.929 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.8 t -61.28 -23.32 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.767 0.318 . . . . 1.22 110.65 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 45.0 ttm-85 -79.78 -24.23 41.64 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.481 -0.563 . . . . 2.65 109.481 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 19' ' ' THR . 70.1 t -85.99 -37.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.177 0.513 . . . . 0.92 110.362 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 20' ' ' VAL . 36.9 t -71.08 -49.12 51.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.408 -0.815 . . . . 0.94 112.62 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -103.85 -42.09 5.7 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 116.014 1.857 . . . . 1.24 116.014 -175.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -130.83 64.76 1.56 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.766 -0.774 . . . . 4.46 112.741 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 116.93 7.44 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.721 0.772 . . . . 2.66 111.045 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 t -164.51 -95.13 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.064 -1.425 . . . . 2.08 109.719 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -65.21 53.89 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.982 0.913 . . . . 1.63 112.047 177.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.426 HG11 HG22 ' A' ' 23' ' ' VAL . 76.9 t -137.96 120.3 18.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.812 -0.81 . . . . 1.05 108.812 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.0 m -54.5 135.23 46.06 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.417 -0.81 . . . . 1.29 110.902 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -53.77 -37.79 63.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.973 0.416 . . . . 1.09 111.269 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -57.66 -41.33 81.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.743 -0.662 . . . . 3.08 111.789 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -84.79 -40.43 17.22 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.392 -0.367 . . . . 0.98 110.808 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -52.57 -52.72 53.68 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 122.807 0.443 . . . . 3.63 111.898 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 21.5 mt-10 -72.6 -16.47 61.73 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.424 -0.807 . . . . 1.72 111.054 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -86.3 -29.4 23.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.258 0.551 . . . . 1.44 110.208 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' A' ' 20' ' ' VAL . 79.8 t -80.28 -39.54 19.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 109.358 -0.608 . . . . 0.68 109.358 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.6 -31.51 72.7 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.552 -0.749 . . . . 1.7 109.439 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -73.81 -34.74 64.73 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.167 -0.924 . . . . 0.78 109.69 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.676 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -61.75 -44.79 96.22 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.79 110.535 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.409 ' CE ' HG22 ' A' ' 24' ' ' VAL . 34.5 mtt -55.9 -32.63 63.92 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.683 -0.69 . . . . 0.87 112.209 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.97 -28.2 49.36 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.472 0.653 . . . . 0.93 110.56 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 24.4 mm-40 -68.79 -59.45 3.08 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.629 -1.169 . . . . 1.55 112.368 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.718 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.27 -0.73 57.76 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.898 -1.046 . . . . 1.79 112.018 -178.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' HD12 ' A' ' 48' ' ' ILE . 8.2 m120 63.12 66.58 0.72 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.238 0.542 . . . . 2.2 111.36 178.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.588 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.0 t80 -82.44 120.56 25.61 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.051 -0.522 . . . . 1.38 111.608 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 46' ' ' ASN . 3.9 mp -114.46 112.84 45.84 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 107.238 -1.393 . . . . 1.39 107.238 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.26 122.19 11.27 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.342 2.028 . . . . 0.78 112.577 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -67.91 101.12 1.05 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.846 -0.615 . . . . 0.69 111.509 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 27.0 mmt180 -63.69 -23.47 67.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.803 -0.635 . . . . 4.2 111.321 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -38.63 65.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.017 0.437 . . . . 0.7 110.153 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -73.84 -32.2 63.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.53 -0.915 . . . . 0.53 108.53 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -64.37 -35.97 82.61 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.635 -1.166 . . . . 1.67 109.599 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 28.4 mt-30 -73.51 -22.17 60.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.529 . . . . 2.66 109.767 178.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 56' ' ' LEU . 6.9 tp -80.7 -52.9 7.02 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.699 -0.682 . . . . 0.61 110.345 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.67 -14.58 62.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.448 -0.796 . . . . 0.85 109.657 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.988 0 N-CA-C 109.985 -1.246 . . . . 1.86 109.985 178.167 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo . . . . . 0 N--CA 1.46 -0.45 0 CA-C-O 121.314 0.464 . . . . 1.75 111.128 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.715 HG21 ' O ' ' B' ' 45' ' ' LEU . 39.3 t -88.67 160.16 2.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.814 -0.63 . . . . 0.83 109.773 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 69.9 p -136.74 161.88 34.73 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 119.362 -0.351 . . . . 0.68 110.642 -178.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.581 ' HG ' HG11 ' B' ' 20' ' ' VAL . 1.7 tt -49.51 -30.97 9.23 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 123.867 0.729 . . . . 0.66 111.463 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -69.2 -35.84 76.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.87 0.367 . . . . 1.22 110.482 -179.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.75 -39.1 87.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.086 -0.709 . . . . 1.45 109.086 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.66 -43.89 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 115.364 -0.834 . . . . 0.55 110.463 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.677 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.8 -51.13 70.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.63 111.194 178.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -59.85 -43.88 94.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.168 -0.924 . . . . 2.46 112.813 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.95 -54.02 31.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.1 0.476 . . . . 1.39 112.227 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.731 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -64.01 -25.19 68.01 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.659 -0.7 . . . . 0.69 112.844 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.6 49.62 6.52 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.005 -1.093 . . . . 1.09 111.363 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.32 174.74 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 N-CA-C 108.45 -0.945 . . . . 0.62 108.45 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.0 p -74.72 153.92 38.63 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 107.459 -1.311 . . . . 1.31 107.459 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -16.08 63.79 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 121.147 -0.221 . . . . 1.58 110.964 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.4 ' O ' ' HG3' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -85.0 -33.03 22.64 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.28 -1.008 . . . . 0.89 108.28 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 39.0 m -53.78 -34.7 59.89 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.73 -1.123 . . . . 0.64 110.783 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.677 HG21 ' HB2' ' B' ' 10' ' ' ALA . 2.8 t -66.28 -51.4 59.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.048 -0.978 . . . . 1.17 108.853 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 58.3 m -57.06 -46.53 82.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.979 -0.749 . . . . 1.13 108.979 177.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' B' ' 18' ' ' GLN . 21.5 mtt-85 -49.99 -40.96 45.91 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.194 -0.912 . . . . 2.87 112.541 178.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.9 t -78.79 -31.51 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 120.993 0.425 . . . . 0.86 110.751 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.2 t -74.71 -28.95 22.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.274 0.559 . . . . 1.03 111.108 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -81.73 -85.02 0.11 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.78 0.8 . . . . 1.25 110.626 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -153.38 90.79 1.44 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.364 -1.289 . . . . 3.75 110.369 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.59 128.13 34.54 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.193 -0.669 . . . . 2.36 109.193 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.8 m -153.69 -26.08 0.14 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.577 0.703 . . . . 1.96 109.867 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -120.84 31.45 6.4 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.19 -0.67 . . . . 1.34 109.19 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -122.91 139.29 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 115.13 -0.941 . . . . 1.1 110.013 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.54 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 62.0 m -66.9 153.98 42.16 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.623 -1.171 . . . . 0.98 110.845 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -48.01 78.2 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.141 -0.482 . . . . 1.12 110.635 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -56.78 -54.41 46.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.176 0.512 . . . . 3.25 111.692 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.54 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -56.61 -38.58 72.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.873 -1.058 . . . . 0.77 111.722 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -68.44 -43.23 77.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.322 0.582 . . . . 3.59 109.845 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.42 -31.3 72.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.242 -0.89 . . . . 1.96 111.841 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.731 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 17.0 tppt? -66.61 -44.28 82.5 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.908 -0.587 . . . . 1.91 111.561 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.585 ' O ' ' HG3' ' B' ' 42' ' ' MET . 48.5 t -71.1 -38.47 71.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.371 -0.377 . . . . 0.62 111.337 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -67.39 -37.27 82.86 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.63 -0.507 . . . . 1.68 109.63 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.22 -46.76 63.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.866 -0.606 . . . . 0.77 110.649 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.563 ' O ' HD12 ' B' ' 45' ' ' LEU . . . -53.57 -26.72 22.75 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.667 -0.697 . . . . 0.65 112.495 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 37.4 mtt -68.61 -19.64 64.45 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.053 -0.521 . . . . 0.71 109.953 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.53 -55.31 3.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.896 -0.593 . . . . 0.9 112.033 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.55 -53.29 48.25 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.65 0.738 . . . . 1.58 111.497 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.715 ' O ' HG21 ' B' ' 4' ' ' VAL . 2.1 mt -77.36 -7.68 56.47 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.149 -1.387 . . . . 1.14 113.573 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.447 ' O ' HG12 ' B' ' 48' ' ' ILE . 3.4 t30 57.38 49.09 13.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.422 -0.584 . . . . 1.24 109.422 -177.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.635 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.0 t80 -55.83 125.34 20.91 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.726 -0.67 . . . . 1.46 109.82 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.447 HG12 ' O ' ' B' ' 46' ' ' ASN . 20.1 mm -131.08 98.67 18.63 Favored Pre-proline 0 N--CA 1.441 -0.88 0 N-CA-C 104.184 -2.525 . . . . 1.34 104.184 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -35.37 123.88 0.23 Allowed 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.863 3.042 . . . . 0.72 115.491 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.667 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 39.3 t-20 -65.02 75.88 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.413 -0.812 . . . . 0.85 109.777 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -50.59 -19.3 0.87 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.414 0.894 . . . . 4.55 113.414 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -75.67 -60.73 2.18 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 120.485 -0.486 . . . . 0.73 111.004 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.87 -25.16 63.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.101 -0.5 . . . . 0.64 110.097 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.667 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 30.9 mt-30 -65.85 -36.74 84.3 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.792 -0.64 . . . . 1.04 111.079 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.17 -27.56 57.0 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.424 0.631 . . . . 2.45 109.617 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -72.19 -45.24 61.16 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.286 -0.87 . . . . 0.65 109.18 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.6 0.79 11.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.591 -0.731 . . . . 1.07 112.868 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.87 0 C-N-CA 120.674 -0.774 . . . . 1.6 111.87 179.738 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 CA-C-O 121.352 0.48 . . . . 1.9 111.292 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.555 HG12 ' H ' ' A' ' 5' ' ' THR . 5.6 t -111.87 173.71 2.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 115.025 -0.989 . . . . 0.99 108.983 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.555 ' H ' HG12 ' A' ' 4' ' ' VAL . 9.9 p -133.6 162.5 31.75 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.048 -0.723 . . . . 0.72 109.048 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -67.69 -14.82 63.27 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.223 -0.658 . . . . 0.66 109.223 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -76.36 -39.98 52.4 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.729 -0.669 . . . . 0.68 109.899 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.58 -38.49 90.31 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.123 -1.065 . . . . 1.86 108.123 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 5' ' ' THR . 34.2 t -67.38 -47.98 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 113.11 -1.859 . . . . 0.66 109.086 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.75 90.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.436 -0.802 . . . . 0.65 111.41 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.91 -46.61 71.08 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 120.802 0.334 . . . . 2.41 111.586 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.444 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 25.3 t80 -67.15 -27.45 67.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.096 0.474 . . . . 1.68 111.48 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.08 -19.39 24.4 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 121.161 0.505 . . . . 0.71 109.84 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.8 47.7 13.97 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.524 -1.03 . . . . 0.68 110.524 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.25 -171.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.862 -0.669 . . . . 0.62 109.855 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.1 m -100.25 154.83 18.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.459 -0.571 . . . . 1.03 109.459 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -54.35 -43.22 71.08 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.19 -0.604 . . . . 1.38 110.608 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -60.25 -29.8 69.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 110.025 -0.361 . . . . 2.08 110.025 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 23' ' ' VAL . 23.1 m -68.41 -44.82 74.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.425 -0.583 . . . . 0.61 109.425 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 24' ' ' VAL . 65.1 t -60.12 -51.14 76.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.978 -1.01 . . . . 0.65 110.17 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 t -60.52 -26.58 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 1.22 111.078 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mtm-85 -75.68 -26.81 57.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.923 -0.769 . . . . 2.65 108.923 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 19' ' ' THR . 95.9 t -84.12 -43.27 17.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.183 0.516 . . . . 0.92 109.976 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 20' ' ' VAL . 23.9 t -63.47 -47.87 89.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.376 -0.829 . . . . 0.94 113.145 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -106.49 -7.36 17.58 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.704 1.372 . . . . 1.24 114.704 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 25.3 mm-40 -135.44 -128.88 0.15 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.461 1.028 . . . . 4.46 110.013 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 167.06 -39.07 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.742 1.277 . . . . 2.66 111.222 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.2 t -71.05 156.53 39.51 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.945 -0.57 . . . . 2.08 110.727 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 49.3 m170 65.52 23.12 11.83 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 121.867 0.842 . . . . 1.63 109.11 -179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 28' ' ' SER . 10.7 t -136.68 125.5 36.22 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 114.506 -1.224 . . . . 1.05 109.83 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.465 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 51.9 m -65.31 139.77 58.62 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.374 -0.83 . . . . 1.29 109.086 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.03 -43.58 77.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.123 -0.49 . . . . 1.09 111.637 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 11.1 mttp -57.11 -37.47 72.0 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.251 0.548 . . . . 3.08 110.893 -178.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.605 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -78.25 -44.14 26.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.572 -0.74 . . . . 0.98 111.473 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -53.62 -49.71 67.25 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.579 0.585 . . . . 3.63 112.579 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 27.4 mt-10 -68.86 -23.14 64.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.366 -0.379 . . . . 1.72 111.853 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 34' ' ' THR . 8.9 ptpt -86.6 -21.62 26.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.956 0.408 . . . . 1.44 110.889 -178.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG11 ' HA ' ' A' ' 20' ' ' VAL . 76.7 t -83.64 -40.12 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.536 -0.913 . . . . 0.68 108.536 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.06 -32.79 72.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.849 0.833 . . . . 1.7 109.404 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -69.79 -36.98 76.15 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.394 -1.275 . . . . 0.78 110.875 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.22 90.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.79 110.364 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.437 ' CE ' HG22 ' A' ' 24' ' ' VAL . 25.1 mtt -67.54 -24.2 65.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.046 -0.525 . . . . 0.87 111.561 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.56 33.25 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.798 0.809 . . . . 0.93 109.045 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 16.1 mm-40 -70.59 -58.98 3.11 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.308 -1.314 . . . . 1.55 111.479 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.413 ' O ' HG21 ' A' ' 4' ' ' VAL . 1.5 mt -81.64 -9.73 59.59 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.799 -1.546 . . . . 1.79 113.123 -176.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.51 ' O ' HD12 ' A' ' 48' ' ' ILE . 10.5 m120 64.04 57.09 1.33 Allowed 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.625 -0.509 . . . . 2.2 109.625 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.479 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.6 t80 -78.53 125.61 29.6 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.782 -0.644 . . . . 1.38 111.398 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 46' ' ' ASN . 3.5 mp -114.84 115.59 43.54 Favored Pre-proline 0 C--N 1.316 -0.883 0 N-CA-C 107.057 -1.46 . . . . 1.39 107.057 176.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.03 125.98 20.87 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.637 2.225 . . . . 0.78 111.509 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -73.36 96.58 2.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.771 0.32 . . . . 0.69 111.666 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -60.25 -18.16 46.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 4.2 110.924 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -77.79 -48.43 16.57 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.603 -0.518 . . . . 0.7 109.603 -179.553 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.834 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -70.1 -35.63 74.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.587 -0.894 . . . . 0.53 108.587 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -58.65 -34.92 71.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.774 -1.103 . . . . 1.67 110.12 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 52' ' ' CYS . 1.5 pt20 -80.42 -29.73 37.65 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.753 -0.462 . . . . 2.66 109.753 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.44 HD22 HD22 ' B' ' 56' ' ' LEU . 9.8 tp -65.54 -51.9 56.42 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.656 0.265 . . . . 0.61 110.945 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.4 -17.95 55.7 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.396 0.617 . . . . 0.85 110.303 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.073 0 CA-C-N 115.075 -0.966 . . . . 1.86 111.393 -179.86 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo . . . . . 0 N--CA 1.461 -0.414 0 N-CA-C 110.379 -0.662 . . . . 1.75 110.379 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.602 HG21 ' O ' ' B' ' 45' ' ' LEU . 85.1 t -81.65 161.97 3.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.825 -0.805 . . . . 0.83 108.825 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.455 ' N ' HG12 ' B' ' 4' ' ' VAL . 15.1 p -135.36 163.71 29.4 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 121.199 -0.2 . . . . 0.68 111.182 -178.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.481 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 0.5 OUTLIER -53.3 -31.68 45.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.73 0.644 . . . . 0.66 110.207 175.718 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -69.7 -34.66 74.22 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 116.424 -0.353 . . . . 1.22 111.296 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.32 -36.67 81.95 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 108.992 -0.744 . . . . 1.45 108.992 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.652 ' HA ' HD23 ' B' ' 45' ' ' LEU . 31.4 t -67.21 -46.19 84.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.511 -0.768 . . . . 0.55 111.172 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.554 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.1 -51.79 66.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.702 -0.681 . . . . 0.63 111.125 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.65 -41.04 80.64 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.273 -0.876 . . . . 2.46 112.283 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.444 ' HB2' HD21 ' B' ' 45' ' ' LEU . 27.2 t80 -72.55 -45.92 56.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.525 0.565 . . . . 1.39 112.525 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.558 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -69.48 -25.18 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.286 0.476 . . . . 0.69 112.286 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.43 45.82 6.75 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.035 -1.078 . . . . 1.09 111.702 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.76 171.08 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 N-CA-C 108.962 -0.755 . . . . 0.62 108.962 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' B' ' 19' ' ' THR . 69.8 m -75.54 153.75 37.25 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 119.605 -0.838 . . . . 1.31 109.071 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.443 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -56.99 -41.89 79.26 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 123.363 0.415 . . . . 1.58 110.863 -178.579 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -29.23 69.33 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.666 0.27 . . . . 0.89 111.626 178.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.493 ' O ' HG23 ' B' ' 23' ' ' VAL . 95.5 m -62.07 -37.82 86.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.739 . . . . 0.64 109.037 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' B' ' 10' ' ' ALA . 4.4 t -67.55 -45.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.251 -0.886 . . . . 1.17 109.598 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 7.9 t -55.05 -51.62 65.74 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.434 -1.321 . . . . 1.13 107.434 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -50.62 -38.19 44.56 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.141 -1.39 . . . . 2.87 112.847 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 19' ' ' THR . 96.1 t -77.39 -39.95 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.497 -0.186 . . . . 0.86 110.497 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.4 -38.74 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 121.302 0.572 . . . . 1.03 110.504 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.13 -10.55 59.85 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.908 -0.587 . . . . 1.25 111.033 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 58.47 39.02 25.49 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.687 0.756 . . . . 3.75 109.403 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.77 171.69 14.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.002 -1.454 . . . . 2.36 112.027 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.8 t -86.29 179.26 6.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.492 -0.776 . . . . 1.96 110.546 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 38.0 m170 66.38 28.59 9.66 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.464 -0.789 . . . . 1.34 110.64 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -121.56 121.39 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 115.704 -0.68 . . . . 1.1 110.619 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 68.0 m -70.68 152.79 43.47 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 116.366 -0.379 . . . . 0.98 110.147 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.21 -51.29 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 1.12 111.916 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -52.16 -59.3 4.54 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.339 0.399 . . . . 3.25 111.138 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.446 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -54.89 -37.53 66.41 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.757 -0.656 . . . . 0.77 111.352 179.322 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' B' ' 35' ' ' ARG . 18.5 ttm-85 -65.45 -52.33 53.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.532 0.682 . . . . 3.59 111.126 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.58 -26.39 63.5 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.277 -0.874 . . . . 1.96 112.099 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.558 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 3.1 tppt? -67.26 -46.33 74.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.572 -0.529 . . . . 1.91 109.572 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' B' ' 42' ' ' MET . 92.3 t -65.9 -37.5 80.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.522 -0.763 . . . . 0.62 111.163 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -69.02 -31.63 70.57 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.018 0.437 . . . . 1.68 110.015 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.16 -49.11 65.91 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.158 0.504 . . . . 0.77 109.82 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.73 -29.83 41.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.958 -1.019 . . . . 0.65 111.24 178.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 67.3 mtt -61.38 -23.81 66.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.494 . . . . 0.71 110.695 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.68 -52.28 5.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 0.9 111.41 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.75 -39.62 81.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.716 0.77 . . . . 1.58 110.776 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.652 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.0 OUTLIER -80.71 -18.52 47.58 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.925 -1.034 . . . . 1.14 112.18 -179.443 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 62.77 39.0 11.33 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.081 -1.452 . . . . 1.24 107.081 -176.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.585 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.9 t80 -56.99 124.48 18.84 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 114.672 -1.149 . . . . 1.46 110.755 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 91.4 mt -133.52 102.04 12.9 Favored Pre-proline 0 N--CA 1.434 -1.23 0 N-CA-C 103.358 -2.831 . . . . 1.34 103.358 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.473 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.6 OUTLIER -28.96 123.36 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 124.734 3.623 . . . . 0.72 115.573 -175.231 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.495 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 54.6 t-20 -62.5 77.8 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 114.617 -1.174 . . . . 0.85 110.683 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -50.39 -27.53 6.51 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.62 -0.718 . . . . 4.55 112.827 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.39 -62.75 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 0.73 110.785 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.91 78.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.371 -0.831 . . . . 0.64 110.889 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 33.4 mt-30 -62.21 -28.8 69.94 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.819 -0.628 . . . . 1.04 112.042 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -83.09 -27.46 30.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.616 -0.513 . . . . 2.45 109.616 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.834 HD11 ' HB2' ' A' ' 53' ' ' ALA . 4.4 mp -70.53 -42.77 70.78 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.891 -1.05 . . . . 0.65 109.688 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.86 4.8 4.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.828 -1.078 . . . . 1.07 113.5 -177.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.453 0 C-N-CA 119.524 -1.322 . . . . 1.6 114.624 178.161 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo . . . . . 0 N--CA 1.451 -1.018 0 N-CA-C 110.439 -0.639 . . . . 1.9 110.439 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.635 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 26.1 t -100.35 168.9 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 107.271 -1.381 . . . . 0.99 107.271 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 9' ' ' VAL . 11.0 p -135.09 165.17 25.99 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.344 -0.543 . . . . 0.72 109.765 -178.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.434 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.7 pt? -63.32 -17.1 62.18 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.617 -0.72 . . . . 0.66 110.768 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -78.33 -38.53 41.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.568 -0.742 . . . . 0.68 110.397 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -65.37 -34.83 79.23 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 122.099 0.952 . . . . 1.86 108.66 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 5' ' ' THR . 38.2 t -68.32 -44.44 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.798 -1.546 . . . . 0.66 109.779 178.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -64.04 -40.14 95.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.27 -0.877 . . . . 0.65 110.699 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.94 -51.9 54.5 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.969 -0.293 . . . . 2.41 110.712 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.503 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 27.0 t80 -65.04 -24.77 67.57 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.205 0.446 . . . . 1.68 112.205 -177.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.419 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -94.76 -15.66 23.66 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 120.761 -0.376 . . . . 0.71 111.057 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.76 35.65 31.18 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.798 -0.921 . . . . 0.68 110.798 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 35.0 m -131.94 -172.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 114.867 -0.666 . . . . 0.62 110.779 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 m -102.5 152.59 20.96 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.393 -0.821 . . . . 1.03 109.547 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.434 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 34.7 p90 -53.56 -39.57 64.88 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.363 -0.535 . . . . 1.38 110.671 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.85 -34.04 71.12 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.973 0.416 . . . . 2.08 110.194 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -67.96 -43.68 78.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.89 -0.595 . . . . 0.61 109.553 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 24' ' ' VAL . 68.5 t -58.63 -51.05 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.096 -0.956 . . . . 0.65 110.926 177.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 m -64.78 -27.32 68.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.128 -0.487 . . . . 1.22 110.863 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HD3' ' OE1' ' A' ' 26' ' ' GLN . 0.7 OUTLIER -68.35 -33.19 73.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.747 -0.835 . . . . 2.65 108.747 179.077 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.5 t -82.72 -43.92 18.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.508 -0.769 . . . . 0.92 110.684 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 20' ' ' VAL . 61.2 t -63.31 -44.13 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 115.557 -0.747 . . . . 0.94 111.874 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -96.47 -25.21 15.76 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.909 1.078 . . . . 1.24 113.909 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.505 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 6.2 mt-30 -129.38 -120.48 0.23 Allowed 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.853 -0.425 . . . . 4.46 109.853 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 156.95 -33.43 0.0 OUTLIER 'General case' 0 C--O 1.234 0.25 0 O-C-N 125.104 1.502 . . . . 2.66 109.04 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 4.5 t -68.38 147.84 51.53 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.841 -1.072 . . . . 2.08 109.161 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.478 ' HB2' ' O ' ' A' ' 28' ' ' SER . 50.8 m170 71.79 18.65 5.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.533 0.521 . . . . 1.63 110.677 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.0 t -131.06 130.76 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 109.267 -0.642 . . . . 1.05 109.267 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.5 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 5.4 m -53.56 135.79 39.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.638 0.732 . . . . 1.29 110.574 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.06 -6.67 23.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.292 -0.867 . . . . 1.09 111.256 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -93.65 -47.3 6.87 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 107.683 -1.228 . . . . 3.08 107.683 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -70.37 -33.9 71.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.82 -1.082 . . . . 0.98 111.973 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -52.42 -49.21 64.99 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.286 0.565 . . . . 3.63 111.275 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -18.35 60.84 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.518 -0.764 . . . . 1.72 111.676 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -84.08 -29.23 26.98 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.429 -0.582 . . . . 1.44 109.429 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 34' ' ' THR . 88.8 t -77.62 -42.78 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 N-CA-C 108.496 -0.927 . . . . 0.68 108.496 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.72 -30.9 71.77 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.356 -0.979 . . . . 1.7 108.356 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -70.96 -38.73 72.82 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.989 -1.005 . . . . 0.78 109.954 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.56 -36.27 83.24 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.812 -0.631 . . . . 0.79 110.124 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.497 ' SD ' ' HD2' ' A' ' 47' ' ' TYR . 28.5 mtm -67.31 -23.81 65.68 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.596 -0.729 . . . . 0.87 112.226 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.5 -34.04 21.67 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.601 0.715 . . . . 0.93 109.183 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 52.3 mm-40 -65.54 -56.21 13.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.608 -1.178 . . . . 1.55 111.266 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.495 ' O ' HG21 ' A' ' 4' ' ' VAL . 1.2 mt -81.93 -13.37 57.6 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 113.515 -1.675 . . . . 1.79 112.607 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.424 ' O ' HD13 ' A' ' 48' ' ' ILE . 24.1 m120 67.14 55.03 0.71 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.239 0.542 . . . . 2.2 109.819 -179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.635 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.8 t80 -70.68 124.59 24.63 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.738 -0.664 . . . . 1.38 110.577 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -110.28 117.47 51.34 Favored Pre-proline 0 N--CA 1.444 -0.761 0 N-CA-C 109.583 -0.525 . . . . 1.39 109.583 177.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.65 119.47 6.67 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.488 2.125 . . . . 0.78 111.745 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -80.73 101.39 9.27 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.369 0.604 . . . . 0.69 111.624 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -41.54 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.846 -1.07 . . . . 4.2 111.313 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -41.84 98.65 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 110.096 -0.335 . . . . 0.7 110.096 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.59 -48.99 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.582 -0.736 . . . . 0.53 110.077 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -58.4 -34.69 71.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.539 -0.755 . . . . 1.67 110.773 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -78.08 -27.92 48.66 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.282 -0.417 . . . . 2.66 109.903 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 tp -74.35 -53.58 9.37 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.12 0.486 . . . . 0.61 110.349 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.32 -15.12 61.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.295 0.85 . . . . 0.85 113.295 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.051 0 C-N-CA 119.802 -1.19 . . . . 1.86 112.705 -178.858 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 C--O 1.236 0.394 0 CA-C-O 120.991 0.33 . . . . 1.75 111.35 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.672 HG21 ' O ' ' B' ' 45' ' ' LEU . 61.4 t -87.39 164.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.421 -0.808 . . . . 0.83 110.929 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.458 ' N ' HG12 ' B' ' 4' ' ' VAL . 18.9 p -133.61 160.42 37.54 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.475 -0.784 . . . . 0.68 109.74 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.496 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 1.7 tt -55.51 -26.09 40.87 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.279 0.561 . . . . 0.66 110.732 177.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.24 -36.02 76.75 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.486 -0.779 . . . . 1.22 110.715 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -68.2 -34.88 77.08 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.785 -0.82 . . . . 1.45 108.785 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.501 ' HA ' HD23 ' B' ' 45' ' ' LEU . 60.0 t -68.26 -44.45 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 114.291 -1.322 . . . . 0.55 109.768 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.652 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.44 -48.98 75.88 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.716 -0.675 . . . . 0.63 111.164 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.96 -49.64 75.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.833 -1.076 . . . . 2.46 112.539 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.506 ' CB ' HD21 ' B' ' 45' ' ' LEU . 48.8 t80 -63.53 -46.62 85.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.01 0.374 . . . . 1.39 112.01 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.64 -23.08 64.39 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.938 0.347 . . . . 0.69 111.938 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.2 45.2 10.33 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 119.866 -1.159 . . . . 1.09 111.698 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.1 m -135.71 171.61 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 N-CA-C 107.81 -1.181 . . . . 0.62 107.81 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.5 m -75.18 152.41 38.42 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.112 -0.699 . . . . 1.31 109.112 177.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -41.93 79.19 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.09 -0.337 . . . . 1.58 110.09 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -56.13 -35.51 67.2 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.051 0.453 . . . . 0.89 110.575 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.9 m -59.01 -39.43 81.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.337 -0.847 . . . . 0.64 110.343 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.652 HG21 ' HB2' ' B' ' 10' ' ' ALA . 3.4 t -67.75 -44.41 85.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.329 -0.85 . . . . 1.17 110.754 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 23.8 m -58.13 -44.38 87.76 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 107.326 -1.361 . . . . 1.13 107.326 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -55.0 -40.02 69.68 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 113.975 -1.466 . . . . 2.87 112.2 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.531 HG13 ' HG3' ' B' ' 35' ' ' ARG . 86.4 t -79.96 -35.37 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.297 0.57 . . . . 0.86 110.117 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.21 -29.39 45.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.524 -0.762 . . . . 1.03 110.409 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -99.19 -7.48 26.46 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.387 -0.824 . . . . 1.25 110.554 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 54.48 48.6 20.17 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.684 0.754 . . . . 3.75 108.982 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.63 -178.23 5.76 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.593 -1.185 . . . . 2.36 112.729 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 29.8 p -85.03 179.22 7.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 114.962 -1.017 . . . . 1.96 110.192 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' B' ' 28' ' ' SER . 54.4 m170 69.1 21.67 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.57 0.544 . . . . 1.34 111.386 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.3 t -124.65 132.17 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.86 0.362 . . . . 1.1 110.193 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.408 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 62.4 m -72.69 153.05 41.37 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.071 -0.513 . . . . 0.98 109.784 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.62 55.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.393 0.516 . . . . 1.12 112.393 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 32.9 ttmt -57.34 -58.25 9.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.571 -0.74 . . . . 3.25 111.422 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.558 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -52.45 -33.89 46.27 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.85 0.357 . . . . 0.77 111.493 179.581 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.531 ' HG3' HG13 ' B' ' 23' ' ' VAL . 16.9 ttp180 -71.99 -46.13 58.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.57 0.7 . . . . 3.59 109.608 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.15 -35.58 79.21 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.055 -0.975 . . . . 1.96 111.694 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 52.8 mtpt -63.72 -41.93 98.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.828 0.347 . . . . 1.91 110.577 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 34' ' ' THR . 58.9 t -64.91 -39.64 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.381 -0.372 . . . . 0.62 111.575 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -66.62 -34.4 77.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.978 0.418 . . . . 1.68 110.056 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -47.03 72.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.121 -0.49 . . . . 0.77 110.482 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.436 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -55.03 -27.99 48.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.451 -0.795 . . . . 0.65 111.339 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 55.1 mtt -61.85 -20.91 64.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.901 -0.591 . . . . 0.71 109.872 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.75 -48.79 6.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.799 -0.637 . . . . 0.9 111.571 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -53.7 -52.82 58.84 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 122.135 0.969 . . . . 1.58 111.069 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.672 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -74.17 -17.47 60.91 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.198 -1.365 . . . . 1.14 111.56 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.521 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.5 OUTLIER 63.78 47.14 3.7 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.283 -1.377 . . . . 1.24 107.283 -174.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.642 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.5 t80 -52.69 119.35 4.46 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.158 -0.928 . . . . 1.46 111.422 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.521 HG12 ' O ' ' B' ' 46' ' ' ASN . 22.4 mm -129.18 103.54 18.32 Favored Pre-proline 0 N--CA 1.442 -0.874 0 N-CA-C 104.074 -2.565 . . . . 1.34 104.074 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -36.45 127.03 0.42 Allowed 'Trans proline' 0 N--CA 1.476 0.47 0 C-N-CA 123.736 2.957 . . . . 0.72 114.859 -176.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -63.63 85.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.028 -0.987 . . . . 0.85 110.772 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.441 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 16.3 mmt85 -47.89 -29.35 3.24 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.034 1.124 . . . . 4.55 114.034 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 2.6 m -74.24 -55.77 5.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.278 -0.569 . . . . 0.73 110.683 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.17 74.34 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.653 -0.703 . . . . 0.64 110.394 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -66.76 -34.0 76.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.801 -0.636 . . . . 1.04 111.189 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -75.68 -24.82 56.32 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.093 -1.077 . . . . 2.45 108.093 -179.396 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 tp -82.77 -43.13 17.11 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.428 -1.26 . . . . 0.65 110.534 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.88 -8.4 58.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.34 0.496 . . . . 1.07 112.34 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 C-N-CA 120.389 -0.91 . . . . 1.6 112.87 -177.74 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 N--CA 1.459 -0.544 0 N-CA-C 110.706 -0.536 . . . . 1.9 110.706 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 68.5 t -122.82 132.64 70.93 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 N-CA-C 108.869 -0.789 . . . . 0.99 108.869 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.2 p -95.86 171.73 8.46 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 113.497 0.925 . . . . 0.72 113.497 -178.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.505 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.2 pt? -66.5 -19.07 65.7 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 114.201 -1.363 . . . . 0.66 109.822 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -76.46 -38.94 54.62 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 115.781 -0.645 . . . . 0.68 109.978 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.488 ' HB2' HG13 ' A' ' 4' ' ' VAL . 15.1 m-20 -64.94 -41.12 95.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.372 -1.344 . . . . 1.86 107.372 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 5' ' ' THR . 42.7 t -62.32 -43.89 98.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 113.466 -1.697 . . . . 0.66 110.421 177.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.431 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -66.84 -33.29 75.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.609 -0.723 . . . . 0.65 110.667 178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.63 -53.56 32.73 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.776 -0.647 . . . . 2.41 110.602 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.542 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 39.7 t80 -68.82 -25.43 64.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.508 0.671 . . . . 1.68 111.494 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.649 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -86.26 -17.53 34.46 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.219 -0.901 . . . . 0.71 109.198 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.99 45.21 93.02 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.681 -1.368 . . . . 0.68 109.681 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.649 HG22 ' HB3' ' A' ' 13' ' ' ALA . 28.9 m -134.04 -167.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 113.955 -1.122 . . . . 0.62 109.102 -178.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 m -102.19 150.74 22.97 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.049 -1.093 . . . . 1.03 108.049 176.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.505 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.2 p90 -55.58 -38.87 69.94 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 123.619 0.574 . . . . 1.38 109.651 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -29.92 71.11 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.051 -0.259 . . . . 2.08 110.724 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.537 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 98.6 m -67.93 -40.1 83.37 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.304 -0.628 . . . . 0.61 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.671 ' O ' HG23 ' A' ' 24' ' ' VAL . 39.9 t -59.22 -51.41 72.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.061 -0.972 . . . . 0.65 110.289 177.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.8 t -61.56 -27.42 68.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.163 -0.926 . . . . 1.22 110.311 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.537 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 12.5 mtm180 -69.8 -35.69 75.06 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.305 -0.628 . . . . 2.65 109.305 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.799 HG13 ' HG2' ' A' ' 35' ' ' ARG . 60.3 t -78.5 -43.38 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.445 0.64 . . . . 0.92 110.806 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 20' ' ' VAL . 41.2 t -61.82 -48.04 90.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.329 -0.85 . . . . 0.94 112.547 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -97.7 -17.27 19.53 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 114.991 1.478 . . . . 1.24 114.991 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 88.0 mt-30 -130.7 -117.43 0.23 Allowed 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 121.409 -0.807 . . . . 4.46 111.948 -177.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 152.31 -40.71 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.327 0 O-C-N 125.078 1.486 . . . . 2.66 109.333 -176.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 5.8 t -68.28 150.71 47.92 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.171 -0.677 . . . . 2.08 109.171 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.438 ' HB2' ' O ' ' A' ' 28' ' ' SER . 65.9 m170 70.52 16.19 7.04 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.574 0.702 . . . . 1.63 109.288 -178.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.5 t -134.26 123.35 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 CA-C-N 114.786 -1.097 . . . . 1.05 108.408 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -71.79 144.24 49.24 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.142 -0.688 . . . . 1.29 109.142 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.19 -35.76 49.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.796 -0.638 . . . . 1.09 112.179 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.26 -47.59 72.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.654 0.264 . . . . 3.08 111.63 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -77.2 -42.78 36.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.033 0.383 . . . . 0.98 112.033 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.799 ' HG2' HG13 ' A' ' 23' ' ' VAL . 4.9 ttp180 -51.2 -51.73 51.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.635 0.606 . . . . 3.63 112.635 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -72.6 -17.68 61.66 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.252 -0.885 . . . . 1.72 111.557 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -86.28 -29.84 22.76 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.152 -0.477 . . . . 1.44 110.035 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 20' ' ' VAL . 93.0 t -79.69 -41.02 21.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.999 0.428 . . . . 0.68 109.861 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -62.9 -27.44 69.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.541 0.686 . . . . 1.7 109.369 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.59 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -76.2 -34.16 59.28 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.018 -0.992 . . . . 0.78 110.036 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.4 -43.64 89.96 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.35 0.595 . . . . 0.79 110.791 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.6 mtt -59.07 -27.92 65.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.982 -1.008 . . . . 0.87 112.804 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.41 -29.64 30.65 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.751 0.786 . . . . 0.93 110.043 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 22.2 mm-40 -70.49 -60.48 2.24 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.657 -1.156 . . . . 1.55 112.241 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.514 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -80.06 -14.17 58.74 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 114.3 -1.318 . . . . 1.79 111.773 -177.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 69.99 68.92 0.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.982 0.801 . . . . 2.2 109.793 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.554 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.6 t80 -80.28 126.66 31.42 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.988 -1.005 . . . . 1.38 110.242 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.81 106.24 55.42 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.601 -0.889 . . . . 1.39 108.601 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.45 118.74 5.52 Favored 'Trans proline' 0 N--CA 1.475 0.431 0 C-N-CA 122.689 2.259 . . . . 0.78 111.957 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -77.74 97.56 5.22 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.105 0.478 . . . . 0.69 110.832 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -62.32 -28.97 70.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.596 -0.729 . . . . 4.2 112.002 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.8 OUTLIER -72.77 -34.29 66.88 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.54 -0.541 . . . . 0.7 109.54 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.794 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -70.74 -41.03 72.35 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.173 -0.677 . . . . 0.53 109.173 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -58.53 -43.01 89.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.36 -1.291 . . . . 1.67 109.243 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -67.81 -34.56 76.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.097 -0.956 . . . . 2.66 111.889 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.7 tp -67.71 -43.83 79.13 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.639 -0.255 . . . . 0.61 110.371 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.83 -19.0 58.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.966 0.412 . . . . 0.85 111.098 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.885 0 C-N-CA 120.699 -0.762 . . . . 1.86 112.062 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo . . . . . 0 N--CA 1.459 -0.545 0 N-CA-C 110.966 -0.436 . . . . 1.75 110.966 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.712 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 74.0 t -63.73 160.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.243 -0.651 . . . . 0.83 109.243 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.6 p -135.82 163.19 30.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.922 -0.486 . . . . 0.68 110.595 -177.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.459 HD23 ' HD1' ' B' ' 17' ' ' TYR . 0.5 OUTLIER -51.28 -32.37 24.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.236 -0.893 . . . . 0.66 110.627 177.266 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -66.63 -37.73 85.45 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.251 -0.431 . . . . 1.22 111.131 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.65 -41.71 87.82 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.448 -0.575 . . . . 1.45 109.448 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.614 ' HA ' HD23 ' B' ' 45' ' ' LEU . 41.7 t -64.66 -45.35 95.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.282 -0.872 . . . . 0.55 110.355 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.508 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -54.71 -52.86 61.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.245 -0.889 . . . . 0.63 111.461 178.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -56.01 -49.37 73.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.469 -0.787 . . . . 2.46 111.695 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.512 ' CB ' HD21 ' B' ' 45' ' ' LEU . 15.1 t80 -64.57 -49.89 69.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.713 -0.676 . . . . 1.39 111.881 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -27.56 69.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 112.015 0.376 . . . . 0.69 112.015 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.23 44.12 7.69 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.256 -0.973 . . . . 1.09 111.404 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.9 m -133.99 171.86 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 N-CA-C 108.179 -1.045 . . . . 0.62 108.179 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.441 ' O ' ' HB ' ' B' ' 19' ' ' THR . 68.9 m -74.74 155.37 37.75 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 107.618 -1.253 . . . . 1.31 107.618 175.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.459 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -61.55 -43.05 99.57 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 110.091 -0.337 . . . . 1.58 110.091 -178.809 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.479 ' O ' ' HG3' ' B' ' 22' ' ' ARG . 9.9 tp60 -55.33 -38.63 68.99 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.269 0.557 . . . . 0.89 110.455 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' B' ' 16' ' ' SER . 23.5 m -53.44 -40.23 65.02 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.819 -1.082 . . . . 0.64 111.01 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' B' ' 10' ' ' ALA . 16.7 t -67.48 -45.56 85.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.279 -0.873 . . . . 1.17 110.665 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 38.5 m -52.13 -46.8 65.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.848 -1.167 . . . . 1.13 107.848 176.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' B' ' 18' ' ' GLN . 19.1 mtp85 -56.43 -41.2 76.0 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 113.796 -1.547 . . . . 2.87 112.061 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -74.5 -38.55 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.945 0.35 . . . . 0.86 111.945 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.95 -31.68 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-O 121.397 0.618 . . . . 1.03 111.182 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -97.15 -0.51 46.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.738 -0.665 . . . . 1.25 111.177 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 54.64 44.56 28.44 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.685 0.755 . . . . 3.75 109.963 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.55 173.81 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.855 -1.066 . . . . 2.36 110.281 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 1.5 m -89.99 175.21 7.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.915 0.388 . . . . 1.96 110.501 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . 0.413 ' HB2' ' NH2' ' B' ' 22' ' ' ARG . 28.4 m170 71.38 34.9 1.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.578 -0.737 . . . . 1.34 110.899 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -130.28 130.61 65.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.496 -0.557 . . . . 1.1 109.496 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.457 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 35.5 m -71.76 152.22 42.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.517 -0.549 . . . . 0.98 109.517 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.68 -55.67 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.649 0.611 . . . . 1.12 112.649 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -54.62 -52.08 63.35 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.079 0.466 . . . . 3.25 110.244 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.459 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -55.72 -34.63 65.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.64 -0.709 . . . . 0.77 112.142 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -67.93 -47.12 69.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.341 0.591 . . . . 3.59 110.273 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.98 -33.68 75.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.983 -1.008 . . . . 1.96 111.658 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -65.17 -35.38 80.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.834 0.35 . . . . 1.91 110.112 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 34' ' ' THR . 59.7 t -71.61 -41.87 71.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.086 -0.506 . . . . 0.62 110.578 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.39 -28.49 67.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.878 -0.416 . . . . 1.68 109.878 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.77 -44.61 69.82 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.77 109.325 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.454 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -57.09 -31.53 65.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.444 -1.253 . . . . 0.65 110.733 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 63.0 mtt -62.85 -20.6 65.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.479 -0.782 . . . . 0.71 110.164 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.96 -48.0 7.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.537 . . . . 0.9 110.879 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.43 -44.42 94.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.865 -0.607 . . . . 1.58 111.588 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.672 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -76.64 -19.08 58.18 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-N 116.42 -0.354 . . . . 1.14 111.129 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.579 ' O ' HG12 ' B' ' 48' ' ' ILE . 1.8 t30 62.75 46.13 5.4 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.8 -1.185 . . . . 1.24 107.8 -175.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.712 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.8 t80 -49.92 120.32 4.26 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 114.684 -1.143 . . . . 1.46 110.778 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.579 HG12 ' O ' ' B' ' 46' ' ' ASN . 39.4 mm -132.24 96.21 19.96 Favored Pre-proline 0 N--CA 1.441 -0.885 0 N-CA-C 104.376 -2.453 . . . . 1.34 104.376 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.508 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 10.5 Cg_exo -32.06 121.34 0.09 OUTLIER 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 125.119 3.879 . . . . 0.72 116.165 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.533 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 46.9 t-20 -53.42 124.57 15.18 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.41 -0.959 . . . . 0.85 108.41 178.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 3.2 mpt_? -89.66 -22.86 22.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 120.666 -1.271 . . . . 4.55 111.943 -176.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 94.8 m -83.37 -51.83 7.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.509 -0.769 . . . . 0.73 110.442 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.77 -46.84 74.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.586 . . . . 0.64 111.272 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.533 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 59.6 mt-30 -65.59 -30.82 71.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.839 0.681 . . . . 1.04 112.839 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 1.0 OUTLIER -63.08 -52.37 62.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.601 -1.259 . . . . 2.45 107.601 179.128 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.794 HD11 ' HB2' ' A' ' 53' ' ' ALA . 2.3 mp -53.2 -43.74 67.43 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 114.674 -1.148 . . . . 0.65 111.871 178.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.88 -7.13 56.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.433 -0.349 . . . . 1.07 111.322 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.505 0 C-N-CA 120.098 -1.049 . . . . 1.6 112.851 -179.723 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo . . . . . 0 N--CA 1.454 -0.821 0 CA-C-O 121.455 0.523 . . . . 1.9 111.923 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.493 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 84.2 t -122.8 130.06 74.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.437 -0.949 . . . . 0.99 108.437 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 9' ' ' VAL . 22.6 p -97.41 171.83 8.15 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 113.44 0.904 . . . . 0.72 113.44 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.476 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -66.37 -17.92 65.05 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 114.071 -1.422 . . . . 0.66 109.338 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.61 -40.88 61.28 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.149 -0.932 . . . . 0.68 110.552 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -64.66 -41.62 95.97 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.586 -1.264 . . . . 1.86 107.586 178.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 5' ' ' THR . 44.1 t -60.01 -47.01 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 112.863 -1.971 . . . . 0.66 109.044 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.06 -36.45 81.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.139 -0.937 . . . . 0.65 111.798 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.15 -46.84 63.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.065 0.46 . . . . 2.41 111.115 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 69.1 t80 -71.09 -28.49 64.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.912 -0.586 . . . . 1.68 111.071 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.61 -19.25 33.3 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 109.525 -0.546 . . . . 0.71 109.525 -179.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.01 46.6 43.25 Favored Glycine 0 CA--C 1.502 -0.772 0 N-CA-C 110.548 -1.021 . . . . 0.68 110.548 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.7 m -138.5 -169.56 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.086 -1.057 . . . . 0.62 109.329 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.2 m -102.66 150.34 23.53 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 108.606 -0.887 . . . . 1.03 108.606 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.476 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 36.6 p90 -51.28 -38.48 53.03 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.035 -0.53 . . . . 1.38 110.384 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -33.71 72.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 2.08 111.302 176.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.9 m -68.68 -44.4 74.1 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.295 0.569 . . . . 0.61 109.775 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.626 ' HA ' HG11 ' A' ' 38' ' ' VAL . 71.4 t -61.16 -46.89 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 CA-C-N 115.08 -0.964 . . . . 0.65 110.139 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -61.39 -32.9 72.85 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.496 -0.774 . . . . 1.22 110.942 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.574 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 24.9 mtm180 -68.89 -30.3 68.77 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.857 -0.794 . . . . 2.65 108.857 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -78.21 -45.09 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 CA-C-N 115.605 -0.725 . . . . 0.92 109.422 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 20' ' ' VAL . 26.0 t -60.63 -43.06 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 115.562 -0.744 . . . . 0.94 109.423 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -64.65 -32.35 73.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.073 -0.967 . . . . 1.24 110.94 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 67.84 47.02 1.17 Allowed 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.415 0.447 . . . . 4.46 110.958 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.19 -151.48 0.46 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.234 0.54 . . . . 2.66 110.644 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -99.81 -172.65 2.28 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.714 -0.847 . . . . 2.08 108.714 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.7 m170 66.87 25.76 9.44 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.833 -0.432 . . . . 1.63 109.833 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.574 ' CG2' ' HB3' ' A' ' 22' ' ' ARG . 32.3 t -135.21 120.74 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.485 -0.779 . . . . 1.05 109.953 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -78.84 137.75 37.84 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.703 -0.851 . . . . 1.29 108.703 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -51.57 -39.64 58.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 1.09 112.512 -178.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -51.03 65.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.469 0.652 . . . . 3.08 111.372 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -71.86 -36.12 70.02 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.109 -0.95 . . . . 0.98 111.825 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -57.84 -48.64 79.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.13 0.49 . . . . 3.63 111.229 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 22.4 mt-10 -71.07 -19.48 62.47 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.542 -0.754 . . . . 1.72 112.823 -178.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.6 ptpt -85.62 -28.98 24.43 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.185 -0.606 . . . . 1.44 109.695 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.626 HG11 ' HA ' ' A' ' 20' ' ' VAL . 88.8 t -80.06 -41.36 21.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.305 -0.861 . . . . 0.68 109.482 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.23 -29.25 70.27 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.191 -1.041 . . . . 1.7 108.191 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.606 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -72.75 -40.18 66.25 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 114.366 -1.288 . . . . 0.78 110.433 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.91 87.6 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.833 -0.622 . . . . 0.79 110.621 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.545 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 30.8 mtt -64.27 -23.69 67.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.198 -0.91 . . . . 0.87 111.275 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.72 -32.86 20.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.567 0.699 . . . . 0.93 110.237 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 47.2 mm-40 -67.77 -59.39 3.35 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.575 -1.193 . . . . 1.55 111.539 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -80.99 -11.38 59.57 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.179 -1.373 . . . . 1.79 111.94 -177.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 67.57 61.65 0.45 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.607 0.718 . . . . 2.2 110.73 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.493 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.7 t80 -78.97 129.93 35.0 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.105 -0.952 . . . . 1.38 112.143 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -114.74 112.46 45.26 Favored Pre-proline 0 N--CA 1.446 -0.63 0 CA-C-N 115.496 -0.774 . . . . 1.39 109.655 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -63.5 120.68 8.19 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.465 2.11 . . . . 0.78 111.892 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.532 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 51.1 m-80 -77.48 100.2 5.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.35 -0.841 . . . . 0.69 111.253 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.515 ' HD2' ' OE1' ' A' ' 54' ' ' GLN . 6.6 mmm180 -59.68 -30.19 68.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.191 -0.459 . . . . 4.2 112.057 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.4 -33.48 73.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.894 0.378 . . . . 0.7 111.06 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -74.97 -39.6 61.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.385 0.612 . . . . 0.53 109.389 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 50' ' ' ASN . 43.4 mt-30 -64.92 -37.69 88.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.964 -1.016 . . . . 1.67 109.53 178.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -31.66 68.25 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.656 -0.702 . . . . 2.66 109.228 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 tp -68.93 -52.7 26.55 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.45 -0.795 . . . . 0.61 111.61 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.86 -14.66 61.54 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.625 0.972 . . . . 0.85 113.625 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.606 0 C-N-CA 118.942 -1.599 . . . . 1.86 114.019 -179.855 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.31 0.463 . . . . 1.75 111.425 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.698 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 99.4 t -84.38 163.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 115.453 -0.794 . . . . 0.83 110.895 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.424 ' N ' HG12 ' B' ' 4' ' ' VAL . 23.0 p -133.52 158.18 43.79 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 116.349 -0.387 . . . . 0.68 110.188 -177.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.526 HD21 HG13 ' B' ' 20' ' ' VAL . 0.8 OUTLIER -54.52 -30.5 53.86 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.913 0.387 . . . . 0.66 110.914 177.039 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -65.89 -34.85 79.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.854 -0.612 . . . . 1.22 111.466 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -70.55 -36.95 73.95 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.377 -0.601 . . . . 1.45 109.377 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.605 ' HA ' HD23 ' B' ' 45' ' ' LEU . 31.5 t -64.83 -45.28 95.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.26 -0.882 . . . . 0.55 110.455 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.741 ' HB2' HG11 ' B' ' 20' ' ' VAL . . . -55.2 -54.76 39.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.651 -0.704 . . . . 0.63 111.134 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.89 -44.67 94.09 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.091 -0.959 . . . . 2.46 112.885 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.568 ' CB ' HD21 ' B' ' 45' ' ' LEU . 50.3 t80 -63.8 -43.07 97.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.995 0.426 . . . . 1.39 111.447 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.679 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -73.59 -23.1 59.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.785 -0.643 . . . . 0.69 111.523 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.03 44.5 7.6 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.401 -0.905 . . . . 1.09 111.497 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 22.5 m -131.32 171.77 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 109.416 -0.587 . . . . 0.62 109.416 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 53.9 m -76.66 162.66 27.55 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.324 -0.991 . . . . 1.31 108.324 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -40.13 85.27 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.742 -0.383 . . . . 1.58 110.492 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -58.35 -27.88 64.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.78 0.8 . . . . 0.89 110.516 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.2 m -67.24 -50.48 60.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.099 -0.955 . . . . 0.64 112.383 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.741 HG11 ' HB2' ' B' ' 10' ' ' ALA . 2.7 p -62.02 -43.81 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.559 -0.291 . . . . 1.17 110.897 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -57.12 -50.57 72.39 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.533 0.683 . . . . 1.13 109.24 176.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.401 ' HD2' HH11 ' B' ' 22' ' ' ARG . 18.4 mtt85 -50.1 -39.77 43.69 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.735 -1.121 . . . . 2.87 112.689 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.633 HG11 ' HB ' ' B' ' 38' ' ' VAL . 56.1 t -69.82 -37.7 73.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.132 0.491 . . . . 0.86 110.975 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.44 HG22 ' HE1' ' B' ' 42' ' ' MET . 24.2 t -61.12 -34.06 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 CA-C-N 115.575 -0.739 . . . . 1.03 111.007 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -100.75 2.42 41.3 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.349 -0.387 . . . . 1.25 111.703 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 75.0 -53.06 0.67 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.912 0.885 . . . . 3.75 109.206 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.2 -129.24 0.41 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.484 -1.689 . . . . 2.36 110.352 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.4 p -158.32 -42.99 0.06 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.272 0.558 . . . . 1.96 109.859 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -85.71 56.95 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.73 -0.668 . . . . 1.34 110.053 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.5 t -136.39 130.14 47.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 1.1 110.618 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.604 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 18.4 m -78.67 150.22 32.65 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.346 -0.612 . . . . 0.98 109.346 178.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.44 -51.59 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.095 0.405 . . . . 1.12 112.095 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -56.3 -51.69 67.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.856 -0.611 . . . . 3.25 111.016 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.604 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -56.71 -39.1 73.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.288 -0.414 . . . . 0.77 111.302 179.401 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.52 ' HG3' HG13 ' B' ' 23' ' ' VAL . 37.4 ttt180 -66.34 -47.36 73.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.906 0.384 . . . . 3.59 110.928 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -64.54 -34.5 78.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 1.96 111.21 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.679 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 13.5 tppt? -58.95 -47.83 83.69 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.203 0.525 . . . . 1.91 109.764 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.633 ' HB ' HG11 ' B' ' 23' ' ' VAL . 61.0 t -66.23 -40.28 86.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.595 -0.73 . . . . 0.62 111.412 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.64 -36.95 85.9 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 110.07 -0.344 . . . . 1.68 110.07 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.88 -49.07 69.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.183 0.516 . . . . 0.77 109.961 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.38 63.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.413 -0.812 . . . . 0.65 111.359 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.528 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 62.1 mtt -59.2 -23.26 62.11 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.917 0.389 . . . . 0.71 111.104 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.54 -46.4 8.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.619 -0.719 . . . . 0.9 111.027 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' B' ' 44' ' ' GLU . 4.4 mm-40 -60.96 -37.86 83.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.606 0.717 . . . . 1.58 111.22 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.675 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -82.94 -17.87 42.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.89 -1.05 . . . . 1.14 112.394 -179.252 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.498 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.2 OUTLIER 66.15 39.0 4.45 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 106.859 -1.534 . . . . 1.24 106.859 -174.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.698 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.0 t80 -56.78 121.26 9.4 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 114.671 -1.15 . . . . 1.46 111.084 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.498 HG12 ' O ' ' B' ' 46' ' ' ASN . 15.9 mm -127.01 102.83 24.07 Favored Pre-proline 0 N--CA 1.431 -1.391 0 N-CA-C 104.883 -2.266 . . . . 1.34 104.883 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -34.6 123.59 0.18 Allowed 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.951 3.101 . . . . 0.72 114.845 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 53.3 t-20 -66.03 81.9 0.08 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.319 -0.855 . . . . 0.85 110.825 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -51.5 -16.68 0.63 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.153 0.981 . . . . 4.55 113.569 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.412 ' HB2' ' OD1' ' B' ' 50' ' ' ASN . 60.1 m -79.38 -56.32 4.42 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.37 -0.377 . . . . 0.73 110.354 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.23 -30.35 48.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.507 -0.315 . . . . 0.64 111.194 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 21.2 mt-30 -62.02 -44.13 97.37 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.499 -0.319 . . . . 1.04 110.269 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -60.16 -46.36 89.94 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.598 -0.89 . . . . 2.45 108.598 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.5 mp -55.64 -49.64 72.33 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.507 -0.77 . . . . 0.65 111.575 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.31 -1.39 10.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.001 -0.545 . . . . 1.07 112.335 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.421 0 C-N-CA 121.111 -0.566 . . . . 1.6 112.386 179.307 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.456 -0.7 0 N-CA-C 109.803 -0.884 . . . . 1.9 109.803 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.637 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 3.3 t -95.76 169.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 109.031 -0.729 . . . . 0.99 109.031 -178.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.51 ' H ' HG12 ' A' ' 4' ' ' VAL . 25.2 p -135.59 163.15 30.77 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.174 -0.676 . . . . 0.72 109.174 -179.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.454 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -65.24 -17.61 64.63 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.669 -0.493 . . . . 0.66 109.669 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -76.76 -37.21 56.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.854 -0.612 . . . . 0.68 109.705 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.75 -38.24 89.77 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 122.689 1.233 . . . . 1.86 108.063 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 5' ' ' THR . 21.2 t -68.76 -47.85 74.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 113.167 -1.833 . . . . 0.66 109.77 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.81 91.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.479 -0.782 . . . . 0.65 110.92 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.39 -52.44 61.64 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.091 -0.504 . . . . 2.41 110.693 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.521 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 32.0 t80 -65.95 -25.66 67.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 1.68 111.93 -178.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.458 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -93.16 -17.36 23.83 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-O 120.903 0.382 . . . . 0.71 110.417 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.75 37.53 26.16 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.286 -0.726 . . . . 0.68 111.286 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.9 m -133.24 179.09 4.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 114.79 -0.705 . . . . 0.62 110.11 -178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.4 m -88.06 159.96 18.03 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.916 -0.772 . . . . 1.03 108.916 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.454 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 17.1 p90 -58.82 -41.93 88.0 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.98 -0.688 . . . . 1.38 109.385 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -60.95 -29.08 69.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.021 -0.536 . . . . 2.08 111.596 177.791 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' A' ' 15' ' ' VAL . 93.0 m -68.04 -39.09 83.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.021 -0.733 . . . . 0.61 109.021 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.635 ' O ' HG23 ' A' ' 24' ' ' VAL . 95.2 t -63.03 -50.22 80.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.087 -0.961 . . . . 0.65 110.662 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 m -60.67 -29.89 69.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.449 -0.342 . . . . 1.22 111.29 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 33.3 mtm180 -72.14 -28.88 63.54 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.706 -0.479 . . . . 2.65 109.706 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.415 HG13 ' HG3' ' A' ' 35' ' ' ARG . 74.5 t -84.04 -40.66 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.92 110.317 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 20' ' ' VAL . 51.8 t -65.96 -51.09 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 115.543 -0.753 . . . . 0.94 111.648 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -80.19 -33.68 38.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.137 -0.938 . . . . 1.24 113.366 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.499 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 54.2 mt-30 -133.45 -109.31 0.23 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 120.495 -0.482 . . . . 4.46 111.052 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 158.43 -34.45 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 124.611 1.194 . . . . 2.66 110.392 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.94 155.71 39.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.427 -0.806 . . . . 2.08 110.846 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.5 m170 68.82 17.03 8.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.368 0.604 . . . . 1.63 110.941 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.48 131.83 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 107.37 -1.344 . . . . 1.05 107.37 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.402 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 2.8 m -54.82 139.9 38.28 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.747 0.784 . . . . 1.29 110.713 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.02 -8.68 39.62 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.402 -0.817 . . . . 1.09 112.462 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.49 -36.59 12.37 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.387 -1.338 . . . . 3.08 107.387 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -75.86 -36.32 59.6 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 114.645 -1.161 . . . . 0.98 112.505 -179.673 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HG3' HG13 ' A' ' 23' ' ' VAL . 47.8 ttp180 -52.43 -50.1 63.25 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.624 0.601 . . . . 3.63 112.624 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -72.6 -21.46 61.12 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.073 0.463 . . . . 1.72 111.125 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -81.84 -31.14 31.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.731 -0.668 . . . . 1.44 110.386 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 34' ' ' THR . 89.1 t -76.23 -43.39 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.127 -0.694 . . . . 0.68 109.127 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -63.99 -27.72 69.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.371 -0.831 . . . . 1.7 109.453 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.46 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.57 -35.01 63.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.162 -0.926 . . . . 0.78 109.984 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.53 87.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.79 110.384 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.0 mtt -64.4 -26.8 68.62 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.69 -0.686 . . . . 0.87 112.074 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.49 -30.69 37.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.007 0.908 . . . . 0.93 109.676 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.521 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 59.9 mm-40 -70.12 -59.16 3.06 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-N 114.116 -1.402 . . . . 1.55 110.822 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.61 -14.72 57.95 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.113 -1.858 . . . . 1.79 111.85 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.84 55.49 1.62 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.438 0.637 . . . . 2.2 110.184 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.637 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 11.6 t80 -71.97 125.82 28.18 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.287 -0.87 . . . . 1.38 111.915 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.88 114.83 53.92 Favored Pre-proline 0 N--CA 1.443 -0.823 0 N-CA-C 108.727 -0.842 . . . . 1.39 108.727 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.92 118.61 5.49 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.794 2.33 . . . . 0.78 111.745 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -70.91 100.54 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.653 0.612 . . . . 0.69 112.653 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt-85 -64.1 -20.78 66.2 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.354 -0.839 . . . . 4.2 111.786 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -77.9 -48.92 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.307 . . . . 0.7 110.561 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.773 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -65.11 -38.81 91.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.154 -0.684 . . . . 0.53 109.154 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.45 HE21 ' HB2' ' A' ' 54' ' ' GLN . 3.4 tp-100 -53.23 -44.53 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.638 -1.165 . . . . 1.67 110.02 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -70.98 -36.02 72.35 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.433 -0.803 . . . . 2.66 109.988 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.423 HD22 HD22 ' B' ' 56' ' ' LEU . 7.2 tp -64.83 -52.94 54.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.999 -0.546 . . . . 0.61 111.693 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.74 -20.95 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.475 0.917 . . . . 0.85 113.475 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.923 0 C-N-CA 120.533 -0.841 . . . . 1.86 113.126 -179.6 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo . . . . . 0 N--CA 1.458 -0.595 0 N-CA-C 110.893 -0.464 . . . . 1.75 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.703 HG21 ' O ' ' B' ' 45' ' ' LEU . 97.0 t -75.93 158.62 5.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.136 -0.69 . . . . 0.83 109.136 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.576 HG22 ' HB2' ' B' ' 50' ' ' ASN . 39.2 p -135.19 161.35 35.6 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.263 0.554 . . . . 0.68 111.273 -177.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.502 HD23 ' HD1' ' B' ' 17' ' ' TYR . 0.6 OUTLIER -50.41 -31.0 13.73 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.016 -0.993 . . . . 0.66 110.443 178.059 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -69.44 -35.31 75.54 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.901 -0.591 . . . . 1.22 111.316 -179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -69.73 -35.85 75.35 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.926 -0.768 . . . . 1.45 108.926 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.586 ' HA ' HD23 ' B' ' 45' ' ' LEU . 42.9 t -67.76 -43.71 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.158 -0.928 . . . . 0.55 110.283 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.494 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -58.21 -49.55 76.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.489 -0.778 . . . . 0.63 111.576 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -45.21 94.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.272 -0.877 . . . . 2.46 111.605 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.521 ' CB ' HD21 ' B' ' 45' ' ' LEU . 26.8 t80 -65.94 -50.62 63.75 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 111.822 0.305 . . . . 1.39 111.822 -178.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.409 ' HB1' ' CG ' ' B' ' 37' ' ' LYS . . . -67.16 -31.39 71.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.535 -0.466 . . . . 0.69 111.568 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.8 43.55 4.14 Favored Glycine 0 C--N 1.321 -0.302 0 C-N-CA 120.244 -0.979 . . . . 1.09 112.614 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.2 m -134.24 169.08 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.104 -1.073 . . . . 0.62 108.104 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' B' ' 19' ' ' THR . 70.4 m -73.97 151.04 40.42 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 107.735 -1.209 . . . . 1.31 107.735 177.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.502 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -56.27 -40.92 74.99 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 110.374 -0.232 . . . . 1.58 110.374 -179.424 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -54.91 -38.6 67.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.524 0.678 . . . . 0.89 110.696 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' B' ' 16' ' ' SER . 27.5 m -55.59 -36.97 67.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.827 -1.078 . . . . 0.64 111.415 178.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.494 HG21 ' HB2' ' B' ' 10' ' ' ALA . 3.6 t -67.93 -48.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-N 115.721 -0.672 . . . . 1.17 110.215 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 72.4 m -51.97 -48.41 64.37 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.933 -1.136 . . . . 1.13 107.933 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -55.04 -38.12 67.57 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.826 -1.534 . . . . 2.87 112.978 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.417 HG22 ' HD3' ' B' ' 35' ' ' ARG . 55.1 t -76.34 -42.3 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.79 -0.448 . . . . 0.86 109.79 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.65 -37.86 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 115.734 -0.666 . . . . 1.03 111.818 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -90.43 -4.88 56.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.97 -0.559 . . . . 1.25 111.135 -179.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 56.76 39.39 29.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.695 0.76 . . . . 3.75 109.831 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.66 168.82 19.06 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.496 -1.229 . . . . 2.36 110.94 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.21 176.4 9.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 1.96 111.667 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 25.2 m170 67.84 26.39 7.64 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.455 -0.793 . . . . 1.34 110.767 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.662 ' HB ' ' NH2' ' B' ' 35' ' ' ARG . 49.9 t -119.98 124.99 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 115.396 -0.82 . . . . 1.1 110.054 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.52 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 49.0 m -68.1 152.12 45.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.601 -0.272 . . . . 0.98 110.758 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -52.92 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 1.12 112.111 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -53.26 -55.18 26.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.962 -0.563 . . . . 3.25 110.122 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.573 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -53.43 -38.78 63.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.38 -0.827 . . . . 0.77 111.485 178.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.662 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 8.2 tpp180 -63.61 -55.67 21.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.199 0.523 . . . . 3.59 109.829 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.14 -37.12 79.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.135 -0.939 . . . . 1.96 111.877 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.409 ' CG ' ' HB1' ' B' ' 13' ' ' ALA . 4.6 ttmm -63.25 -36.68 84.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.405 . . . . 1.91 110.861 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 34' ' ' THR . 94.2 t -75.86 -39.63 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.294 -0.412 . . . . 0.62 110.992 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -68.12 -26.97 66.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.328 -0.396 . . . . 1.68 110.648 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.44 -48.97 36.85 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.43 -0.805 . . . . 0.77 110.171 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.502 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -54.24 -28.94 44.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.227 -0.897 . . . . 0.65 111.177 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 65.3 mtt -60.91 -22.4 64.31 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.255 -0.884 . . . . 0.71 109.97 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.58 -49.45 8.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.494 . . . . 0.9 111.008 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.6 -48.83 78.32 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.484 0.659 . . . . 1.58 110.995 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.703 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -73.18 -18.66 61.24 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.171 -0.922 . . . . 1.14 112.398 -178.713 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.23 41.31 2.56 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.623 -1.621 . . . . 1.24 106.623 -174.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.653 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.4 t80 -54.47 119.14 4.82 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.041 -0.982 . . . . 1.46 110.848 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.1 mt -134.23 100.16 13.01 Favored Pre-proline 0 N--CA 1.436 -1.168 0 N-CA-C 102.505 -3.146 . . . . 1.34 102.505 177.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.536 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.4 OUTLIER -29.76 125.77 0.06 OUTLIER 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 124.722 3.615 . . . . 0.72 116.014 -174.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.576 ' HB2' HG22 ' B' ' 5' ' ' THR . 40.6 t-20 -63.68 78.76 0.03 OUTLIER 'General case' 0 C--N 1.346 0.457 0 CA-C-N 114.737 -1.12 . . . . 0.85 109.599 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 11.0 mmm180 -48.72 -26.51 2.36 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.879 -1.055 . . . . 4.55 112.966 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 56.1 m -67.28 -63.41 1.06 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.981 0.42 . . . . 0.73 110.955 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.65 65.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.041 -0.527 . . . . 0.64 111.315 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.536 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 9.5 mt-30 -66.83 -27.04 67.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.858 -0.61 . . . . 1.04 111.751 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 1.5 mt-30 -91.22 -21.08 21.29 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.642 -0.873 . . . . 2.45 108.642 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.773 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.7 tp -74.61 -48.82 24.31 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.877 -1.056 . . . . 0.65 109.918 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.92 5.2 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 1.07 111.477 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.829 0 C-N-CA 120.631 -0.795 . . . . 1.6 112.229 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo . . . . . 0 N--CA 1.454 -0.836 0 N-CA-C 108.829 -1.258 . . . . 1.9 108.829 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.56 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 3.8 t -100.53 170.37 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 108.713 -0.847 . . . . 0.99 108.713 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.545 ' H ' HG12 ' A' ' 4' ' ' VAL . 55.6 p -136.08 159.06 42.87 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.106 -1.072 . . . . 0.72 108.106 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.52 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -62.51 -15.85 52.6 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.177 0.513 . . . . 0.66 109.855 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -78.8 -36.74 42.26 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.736 -0.666 . . . . 0.68 110.59 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -63.51 -38.37 90.89 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.62 1.2 . . . . 1.86 107.785 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.6 t -66.7 -44.92 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.125 0 CA-C-N 112.72 -2.036 . . . . 0.66 109.873 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -65.14 -35.68 81.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.281 -0.872 . . . . 0.65 111.538 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -71.13 -50.37 34.18 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.682 -0.69 . . . . 2.41 110.542 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 51.7 t80 -67.32 -23.01 65.59 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.535 -0.757 . . . . 1.68 111.472 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.514 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -93.35 -23.04 18.6 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 121.693 -0.629 . . . . 0.71 110.024 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.04 36.72 24.05 Favored Glycine 0 CA--C 1.506 -0.47 0 N-CA-C 110.816 -0.914 . . . . 0.68 110.816 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG22 ' HB3' ' A' ' 13' ' ' ALA . 24.0 m -127.31 -174.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.773 -0.713 . . . . 0.62 110.041 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -89.14 158.49 17.91 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 107.796 -1.187 . . . . 1.03 107.796 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.52 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 27.1 p90 -61.78 -41.72 98.08 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.28 -0.968 . . . . 1.38 109.833 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -60.89 -26.68 67.59 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.99 -0.284 . . . . 2.08 111.027 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.8 m -64.36 -42.69 96.07 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.659 0.742 . . . . 0.61 109.297 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 24' ' ' VAL . 68.4 t -60.64 -52.06 65.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.51 -1.223 . . . . 0.65 110.195 177.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.9 t -63.53 -26.88 68.91 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 120.913 0.387 . . . . 1.22 110.259 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -36.54 72.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.656 -0.868 . . . . 2.65 108.656 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.516 HG13 ' HG3' ' A' ' 35' ' ' ARG . 54.5 t -75.32 -40.86 43.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.519 0.676 . . . . 0.92 109.971 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 20' ' ' VAL . 40.3 t -68.04 -42.05 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.934 -1.03 . . . . 0.94 113.393 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -113.14 -1.71 14.31 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.747 1.758 . . . . 1.24 115.747 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -165.04 74.44 0.23 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.009 1.277 . . . . 4.46 112.979 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.86 -40.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.497 0.925 . . . . 2.66 113.497 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 1.2 m -67.78 148.93 50.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.791 -0.64 . . . . 2.08 110.18 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.546 ' HB2' ' O ' ' A' ' 28' ' ' SER . 28.5 m170 78.91 15.57 1.08 Allowed 'General case' 0 C--N 1.342 0.262 0 N-CA-C 107.993 -1.114 . . . . 1.63 107.993 -178.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 t -139.17 130.59 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 114.81 -1.086 . . . . 1.05 109.454 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.459 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 47.9 m -65.77 141.9 58.16 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.966 -0.561 . . . . 1.29 109.707 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.635 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.39 -40.05 81.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.695 -0.684 . . . . 1.09 111.36 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -42.56 85.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.929 0.395 . . . . 3.08 111.386 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.479 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -76.34 -39.38 54.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.141 -0.481 . . . . 0.98 111.815 179.415 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.516 ' HG3' HG13 ' A' ' 23' ' ' VAL . 33.9 ttm180 -59.26 -47.86 83.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.235 0.54 . . . . 3.63 111.704 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 35.3 mt-10 -70.48 -17.57 62.97 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.814 -0.63 . . . . 1.72 111.616 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.479 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 5.4 ptpt -87.8 -26.24 22.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.261 0.553 . . . . 1.44 110.086 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 20' ' ' VAL . 70.0 t -82.03 -44.35 19.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.67 -0.695 . . . . 0.68 109.475 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.11 -34.18 71.73 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.814 -0.81 . . . . 1.7 108.814 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -67.08 -39.39 86.79 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.368 -1.287 . . . . 0.78 110.237 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.67 97.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.79 111.166 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.7 mtm -64.54 -22.06 66.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.171 -0.468 . . . . 0.87 111.84 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.7 -34.59 27.28 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.925 0.869 . . . . 0.93 109.564 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.499 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 44.2 mm-40 -68.37 -58.03 4.98 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 113.946 -1.479 . . . . 1.55 111.17 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -12.55 59.36 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 114.257 -1.338 . . . . 1.79 112.672 -177.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.482 ' O ' HD12 ' A' ' 48' ' ' ILE . 9.2 m120 62.08 57.6 2.02 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.132 0.491 . . . . 2.2 109.938 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.56 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.1 t80 -73.45 126.76 30.94 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.565 -0.743 . . . . 1.38 111.491 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 46' ' ' ASN . 2.7 mp -116.52 109.82 43.38 Favored Pre-proline 0 N--CA 1.446 -0.672 0 N-CA-C 108.703 -0.851 . . . . 1.39 108.703 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -53.89 123.38 13.31 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 123.067 2.512 . . . . 0.78 112.563 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -73.98 103.85 4.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.488 0.661 . . . . 0.69 112.32 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -18.75 65.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.636 -0.711 . . . . 4.2 111.127 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.64 -45.36 30.2 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.497 -0.557 . . . . 0.7 109.497 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -70.66 -35.74 73.01 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.248 -0.649 . . . . 0.53 109.248 178.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -58.18 -51.94 67.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.919 -1.037 . . . . 1.67 110.505 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -64.29 -32.31 73.86 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.616 -0.434 . . . . 2.66 110.674 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 7.2 tp -67.24 -49.09 65.76 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.178 -0.464 . . . . 0.61 110.914 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.71 -17.64 16.38 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.455 0.909 . . . . 0.85 113.455 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 120.453 -0.88 . . . . 1.86 112.497 -179.667 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo . . . . . 0 N--CA 1.471 0.195 0 CA-C-O 120.647 0.186 . . . . 1.75 111.895 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.618 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.2 t -74.28 160.49 5.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.12 0.486 . . . . 0.83 109.928 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.5 p -131.7 155.85 46.93 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 116.228 -0.442 . . . . 0.68 111.04 -177.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.499 HD23 ' HD1' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -51.63 -29.35 17.35 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 111.892 0.33 . . . . 0.66 111.892 177.045 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -69.36 -36.8 77.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.834 -1.076 . . . . 1.22 111.105 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.83 -39.32 90.72 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.393 0.616 . . . . 1.45 109.422 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.553 ' HA ' HD23 ' B' ' 45' ' ' LEU . 25.3 t -65.18 -46.19 91.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-N 115.013 -0.994 . . . . 0.55 110.891 -179.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.529 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -54.85 -53.82 50.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.036 -0.984 . . . . 0.63 111.026 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -58.61 -49.33 77.87 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.357 -1.292 . . . . 2.46 111.777 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.526 ' CB ' HD21 ' B' ' 45' ' ' LEU . 40.9 t80 -60.8 -50.3 74.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 1.39 111.738 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.731 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -68.31 -21.09 64.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.805 0.668 . . . . 0.69 112.805 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.44 42.1 19.05 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 111.222 -0.751 . . . . 1.09 111.222 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -129.72 171.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 N-CA-C 108.658 -0.868 . . . . 0.62 108.658 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 46.7 p -72.89 159.26 34.0 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.759 -1.2 . . . . 1.31 107.759 177.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.499 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -70.09 -15.17 62.95 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.895 -0.322 . . . . 1.58 110.391 -179.121 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -82.62 -35.55 26.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.757 -1.201 . . . . 0.89 107.757 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.461 ' O ' HG23 ' B' ' 23' ' ' VAL . 70.1 m -52.87 -36.01 58.45 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 113.95 -1.477 . . . . 0.64 109.392 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' B' ' 10' ' ' ALA . 1.8 t -66.76 -52.25 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.468 -0.787 . . . . 1.17 109.428 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 60.3 m -53.85 -49.0 69.43 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 107.91 -1.144 . . . . 1.13 107.91 176.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -52.4 -38.54 59.22 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 113.663 -1.608 . . . . 2.87 113.236 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 19' ' ' THR . 65.9 t -78.55 -46.96 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 117.985 0.357 . . . . 0.86 110.628 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 20' ' ' VAL . 72.2 t -56.78 -40.68 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 O-C-N 123.716 0.635 . . . . 1.03 110.878 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -86.67 -5.34 59.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 1.25 111.723 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 56.73 40.77 28.98 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.493 -0.558 . . . . 3.75 109.493 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.92 170.56 15.71 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 114.908 -1.042 . . . . 2.36 112.26 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.98 173.14 11.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.267 -0.879 . . . . 1.96 112.73 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 55.0 m170 63.86 50.3 2.64 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.134 -0.939 . . . . 1.34 109.977 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -139.49 129.48 30.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.245 -0.889 . . . . 1.1 110.293 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.502 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 32.6 m -74.45 152.6 39.43 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.99 -0.55 . . . . 0.98 109.739 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.08 -49.19 74.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.96 -0.564 . . . . 1.12 111.425 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -57.5 -55.62 32.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.027 -0.533 . . . . 3.25 112.147 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.502 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -52.65 -34.07 49.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.224 -0.444 . . . . 0.77 111.397 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 7.0 tpp180 -71.19 -46.18 61.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.274 -0.421 . . . . 3.59 110.313 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -65.93 -32.7 74.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 1.96 111.786 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.731 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 16.9 tppt? -63.54 -49.14 74.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.872 -0.604 . . . . 1.91 110.836 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.548 ' O ' ' HG3' ' B' ' 42' ' ' MET . 61.1 t -64.29 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.596 -0.729 . . . . 0.62 111.589 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 47.9 mt-10 -60.39 -39.84 88.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.915 0.388 . . . . 1.68 110.701 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.54 -43.27 66.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.311 0.577 . . . . 0.77 110.749 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.75 -29.64 59.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.399 -0.818 . . . . 0.65 110.774 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.548 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 51.8 mtt -62.8 -22.07 66.35 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.571 -0.74 . . . . 0.71 110.937 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.59 -43.89 9.9 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.111 -0.495 . . . . 0.9 110.522 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.22 -55.39 35.34 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.555 -0.748 . . . . 1.58 111.229 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.2 OUTLIER -74.54 -14.21 60.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.09 -0.959 . . . . 1.14 111.431 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.48 43.65 5.81 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.973 -1.121 . . . . 1.24 107.973 -175.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.618 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 t80 -57.44 122.88 13.66 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 114.622 -1.172 . . . . 1.46 111.22 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 80.7 mt -138.67 98.09 8.93 Favored Pre-proline 0 N--CA 1.437 -1.106 0 N-CA-C 103.434 -2.802 . . . . 1.34 103.434 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.564 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.2 OUTLIER -28.97 121.66 0.05 OUTLIER 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 125.101 3.867 . . . . 0.72 116.725 -175.443 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -56.55 87.6 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 113.956 -1.475 . . . . 0.85 110.188 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 17.6 mmt85 -51.04 -23.77 3.29 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.729 1.011 . . . . 4.55 113.729 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 69.8 m -77.71 -57.06 4.01 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 119.992 -0.683 . . . . 0.73 111.56 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.36 -35.69 71.23 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.141 0.496 . . . . 0.64 111.193 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.564 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 6.9 mt-30 -65.87 -29.56 70.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.746 -0.661 . . . . 1.04 112.422 -178.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -89.39 -21.5 23.03 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.043 -0.725 . . . . 2.45 109.043 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.406 HD11 ' HB2' ' A' ' 53' ' ' ALA . 2.6 tp -77.94 -42.36 33.28 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.085 -0.961 . . . . 0.65 108.919 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.23 3.08 3.08 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.699 0.629 . . . . 1.07 112.699 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.573 0 C-N-CA 120.155 -1.022 . . . . 1.6 113.989 178.837 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo . . . . . 0 N--CA 1.459 -0.53 0 CA-C-O 121.625 0.594 . . . . 1.9 111.336 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 18.0 t -101.58 171.72 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 107.629 -1.249 . . . . 0.99 107.629 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 9' ' ' VAL . 7.1 p -134.18 162.13 32.99 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 109.158 -0.682 . . . . 0.72 109.158 -178.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.515 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -63.74 -16.47 61.23 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.47 -0.567 . . . . 0.66 109.47 177.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -79.31 -39.33 33.12 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.077 -0.51 . . . . 0.68 110.086 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.65 -37.55 84.45 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 107.998 -1.112 . . . . 1.86 107.998 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 5' ' ' THR . 29.6 t -67.02 -49.04 77.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-N 112.753 -2.021 . . . . 0.66 109.437 178.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -59.52 -42.66 92.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.388 -0.824 . . . . 0.65 110.781 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.53 -50.42 67.39 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.523 -0.762 . . . . 2.41 111.167 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.609 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 57.8 t80 -67.67 -24.02 65.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.89 0.376 . . . . 1.68 111.509 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.467 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -90.72 -18.88 24.25 Favored 'General case' 0 N--CA 1.434 -1.232 0 C-N-CA 120.615 -0.434 . . . . 0.71 110.35 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.38 38.82 27.95 Favored Glycine 0 N--CA 1.439 -1.101 0 N-CA-C 110.344 -1.102 . . . . 0.68 110.344 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.467 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.3 m -135.43 -175.06 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 115.022 -0.589 . . . . 0.62 109.752 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.2 m -93.82 151.49 19.56 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.468 -0.938 . . . . 1.03 108.468 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.515 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 22.3 p90 -53.33 -39.75 64.32 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.16 0.505 . . . . 1.38 110.744 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -62.0 -28.54 69.64 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.484 -0.78 . . . . 2.08 111.091 177.516 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -69.59 -43.43 72.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.707 0.765 . . . . 0.61 109.112 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.651 ' HA ' HG11 ' A' ' 38' ' ' VAL . 78.0 t -59.76 -53.44 48.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 114.79 -1.095 . . . . 0.65 111.161 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 t -64.89 -23.94 67.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.163 -0.471 . . . . 1.22 110.703 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 11.5 ttp180 -72.83 -30.29 63.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.927 -0.768 . . . . 2.65 108.927 178.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.45 HG13 ' HG2' ' A' ' 35' ' ' ARG . 43.4 t -80.72 -42.45 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 CA-C-N 115.305 -0.861 . . . . 0.92 110.364 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 20' ' ' VAL . 23.5 t -67.05 -52.16 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.418 -0.81 . . . . 0.94 112.623 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -75.75 -37.5 59.27 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 113.291 0.849 . . . . 1.24 113.291 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 54.4 mm-40 -131.68 -114.15 0.23 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.531 -0.468 . . . . 4.46 111.663 -174.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 158.25 -32.92 0.0 OUTLIER 'General case' 0 C--N 1.346 0.441 0 O-C-N 124.379 1.049 . . . . 2.66 110.866 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.87 151.59 46.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.971 -0.559 . . . . 2.08 109.536 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.6 m170 69.13 21.89 7.06 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 109.33 -0.619 . . . . 1.63 109.33 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.482 HG22 ' HE ' ' A' ' 22' ' ' ARG . 34.0 t -137.6 130.81 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.248 -0.887 . . . . 1.05 109.408 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -81.11 152.61 27.73 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.425 0.631 . . . . 1.29 110.088 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.13 69.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.627 -0.715 . . . . 1.09 110.819 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -51.75 -46.54 64.11 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.561 -0.745 . . . . 3.08 111.388 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -81.25 -39.61 25.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.135 0.493 . . . . 0.98 111.807 -179.134 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.45 ' HG2' HG13 ' A' ' 23' ' ' VAL . 5.5 ttp180 -53.64 -57.4 10.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.2 0.524 . . . . 3.63 111.706 -178.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -67.52 -19.01 65.25 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.5 -0.773 . . . . 1.72 111.958 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -87.01 -28.45 22.63 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.61 -0.436 . . . . 1.44 109.937 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.651 HG11 ' HA ' ' A' ' 20' ' ' VAL . 70.6 t -78.21 -43.2 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.66 -0.496 . . . . 0.68 109.66 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -60.73 -35.48 76.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.526 -0.761 . . . . 1.7 109.205 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -68.04 -37.42 81.32 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.237 -0.892 . . . . 0.78 110.826 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.32 87.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.862 -0.608 . . . . 0.79 110.796 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 18.7 mtt -66.06 -27.16 67.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 0.87 112.29 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.46 -32.64 42.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.971 0.891 . . . . 0.93 109.259 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.609 ' HG3' ' CE2' ' A' ' 12' ' ' TYR . 38.0 mm-40 -69.42 -59.64 2.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.119 -1.4 . . . . 1.55 112.058 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.15 -8.81 59.66 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.016 -1.447 . . . . 1.79 112.736 -177.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.519 ' O ' HD13 ' A' ' 48' ' ' ILE . 83.6 m-20 61.31 56.95 2.52 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.238 0.542 . . . . 2.2 110.082 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.554 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 13.8 t80 -72.38 123.61 23.4 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.05 -0.523 . . . . 1.38 110.618 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -112.63 116.2 48.31 Favored Pre-proline 0 N--CA 1.434 -1.268 0 N-CA-C 109.321 -0.622 . . . . 1.39 109.321 178.286 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.442 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 47.4 Cg_exo -57.02 116.77 3.44 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.364 2.709 . . . . 0.78 112.7 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -76.54 95.93 4.0 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.012 0.434 . . . . 0.69 110.585 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' A' ' 49' ' ' PRO . 5.2 mpt_? -58.23 -25.86 62.19 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.404 -0.816 . . . . 4.2 111.216 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -43.02 85.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.898 0.856 . . . . 0.7 109.603 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.477 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -71.81 -37.85 70.3 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.781 -1.099 . . . . 0.53 109.308 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -59.89 -40.15 87.75 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.027 0.829 . . . . 1.67 109.705 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -68.25 -39.52 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.297 -0.865 . . . . 2.66 109.394 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 tp -58.88 -51.81 68.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.231 0.539 . . . . 0.61 111.205 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.99 -13.38 61.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.363 -0.835 . . . . 0.85 112.123 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.939 0 C-N-CA 120.908 -0.663 . . . . 1.86 111.544 -178.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo . . . . . 0 N--CA 1.456 -0.719 0 N-CA-C 110.887 -0.467 . . . . 1.75 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.69 HG21 ' O ' ' B' ' 45' ' ' LEU . 20.9 t -68.61 167.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 N-CA-C 108.632 -0.877 . . . . 0.83 108.632 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 24.3 p -130.84 155.96 45.84 Favored 'General case' 0 N--CA 1.432 -1.336 0 O-C-N 121.832 -0.542 . . . . 0.68 110.645 -176.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.833 HD23 ' CE1' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -52.2 -28.96 20.3 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 123.554 0.534 . . . . 0.66 111.324 177.285 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -69.01 -37.77 78.88 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.504 -0.316 . . . . 1.22 110.889 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.19 -37.15 86.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.595 -0.52 . . . . 1.45 109.595 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.712 ' HA ' HD23 ' B' ' 45' ' ' LEU . 28.2 t -69.24 -46.37 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.707 -0.679 . . . . 0.55 109.591 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.577 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -54.28 -57.37 11.48 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.89 -1.05 . . . . 0.63 111.572 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -47.71 79.09 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.933 -1.03 . . . . 2.46 112.337 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.631 ' CB ' HD21 ' B' ' 45' ' ' LEU . 27.7 t80 -64.02 -50.48 68.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.514 -0.767 . . . . 1.39 112.489 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.413 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -65.76 -25.08 67.11 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.296 -0.411 . . . . 0.69 111.979 -178.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.48 43.69 10.15 Favored Glycine 0 N--CA 1.438 -1.19 0 C-N-CA 120.085 -1.055 . . . . 1.09 111.614 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.71 165.31 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 N-CA-C 107.912 -1.144 . . . . 0.62 107.912 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.2 m -70.1 159.23 34.27 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.918 -1.142 . . . . 1.31 107.918 176.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.833 ' CE1' HD23 ' B' ' 6' ' ' LEU . 37.9 t80 -58.62 -50.17 74.81 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-O 120.808 0.337 . . . . 1.58 111.325 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -50.65 -38.33 45.7 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.758 0.423 . . . . 0.89 110.745 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.607 ' O ' HG23 ' B' ' 23' ' ' VAL . 20.7 m -54.73 -41.63 70.62 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.401 1.063 . . . . 0.64 111.657 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.577 HG21 ' HB2' ' B' ' 10' ' ' ALA . 22.0 t -66.19 -52.05 52.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 115.089 -0.959 . . . . 1.17 110.171 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 52.8 m -54.15 -47.44 71.95 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 107.698 -1.223 . . . . 1.13 107.698 176.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.461 ' HD2' HG22 ' B' ' 30' ' ' VAL . 8.0 ttm180 -51.96 -37.89 54.58 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.411 -1.268 . . . . 2.87 112.094 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.607 HG23 ' O ' ' B' ' 19' ' ' THR . 87.2 t -76.7 -40.84 33.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.114 0.483 . . . . 0.86 110.832 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.68 -31.02 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.32 -0.855 . . . . 1.03 110.705 -178.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -92.07 -1.08 57.4 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.426 -0.806 . . . . 1.25 109.885 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 51.05 42.05 28.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 123.874 0.734 . . . . 3.75 109.803 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.27 -178.43 6.6 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.243 -0.89 . . . . 2.36 111.225 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -91.17 178.04 6.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.485 -0.78 . . . . 1.96 112.191 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 62.67 45.87 5.71 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 114.566 -1.197 . . . . 1.34 110.594 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.461 HG22 ' HD2' ' B' ' 22' ' ' ARG . 21.3 t -135.86 116.24 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.867 -0.606 . . . . 1.1 110.416 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.681 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 32.3 m -61.53 156.51 19.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 123.763 0.665 . . . . 0.98 110.172 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.58 68.76 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 122.418 -0.176 . . . . 1.12 111.311 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -55.7 -52.07 65.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 3.25 111.288 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.681 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -55.5 -39.04 69.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.805 -0.634 . . . . 0.77 111.382 179.179 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -70.58 -46.48 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.068 0.461 . . . . 3.59 110.627 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -67.93 -26.39 65.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.959 -0.564 . . . . 1.96 111.474 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.413 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 0.5 OUTLIER -68.26 -47.64 67.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.02 -0.536 . . . . 1.91 110.18 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' B' ' 42' ' ' MET . 94.7 t -66.38 -38.79 82.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 115.248 -0.887 . . . . 0.62 111.0 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -65.71 -34.89 79.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.034 -0.53 . . . . 1.68 109.576 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.74 -44.1 64.68 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.583 0.706 . . . . 0.77 110.593 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' B' ' 45' ' ' LEU . . . -56.62 -29.52 62.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.06 -0.973 . . . . 0.65 110.985 178.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.526 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 44.6 mtt -64.12 -20.62 66.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.003 -0.544 . . . . 0.71 109.861 179.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.7 -52.84 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.397 -0.365 . . . . 0.9 110.857 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -36.89 79.35 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 122.249 1.023 . . . . 1.58 110.25 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.712 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.0 OUTLIER -82.0 -17.9 45.25 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.567 -1.197 . . . . 1.14 112.255 178.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.54 43.44 5.85 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.969 -1.123 . . . . 1.24 107.969 -175.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.624 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.1 t80 -54.85 125.23 19.32 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.474 -1.239 . . . . 1.46 110.362 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.4 mm -140.64 98.85 7.03 Favored Pre-proline 0 N--CA 1.444 -0.751 0 N-CA-C 102.542 -3.133 . . . . 1.34 102.542 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -34.51 131.33 0.18 Allowed 'Trans proline' 0 N--CA 1.479 0.655 0 C-N-CA 124.203 3.268 . . . . 0.72 115.495 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -59.97 88.34 0.01 OUTLIER 'General case' 0 C--N 1.343 0.284 0 CA-C-N 114.585 -1.189 . . . . 0.85 110.338 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -47.69 -33.43 6.89 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.738 0.644 . . . . 4.55 112.738 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.55 -60.95 1.96 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.614 -0.721 . . . . 0.73 111.901 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.87 -34.04 75.91 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.825 -0.625 . . . . 0.64 111.828 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -65.55 -31.86 73.14 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.61 0.596 . . . . 1.04 112.61 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -81.52 -24.54 36.57 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.658 -0.867 . . . . 2.45 108.658 178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.477 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.5 tp -71.63 -48.46 47.75 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.075 -0.966 . . . . 0.65 111.084 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.7 -67.35 0.34 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 120.253 -0.579 . . . . 1.07 110.002 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.674 0 C-N-CA 118.192 -1.956 . . . . 1.6 112.046 174.874 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo . . . . . 0 N--CA 1.456 -0.711 0 CA-C-O 121.32 0.467 . . . . 1.9 111.961 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.512 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 67.4 t -129.94 131.55 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 107.248 -1.39 . . . . 0.99 107.248 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.575 ' O ' HG23 ' A' ' 9' ' ' VAL . 4.0 p -83.49 161.76 21.15 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 112.262 0.467 . . . . 0.72 112.262 -178.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.559 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.4 pt? -65.41 -15.93 63.1 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.65 -0.705 . . . . 0.66 109.538 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -75.33 -42.56 54.1 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.705 -0.68 . . . . 0.68 109.443 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.12 -39.63 86.9 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.878 1.323 . . . . 1.86 107.538 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 5' ' ' THR . 32.5 t -65.22 -46.19 91.53 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 CA-C-N 112.462 -2.154 . . . . 0.66 109.538 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.6 96.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.715 -1.13 . . . . 0.65 111.647 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -63.26 -50.96 68.09 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.329 0.585 . . . . 2.41 111.086 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CD2' HD21 ' A' ' 45' ' ' LEU . 25.8 t80 -65.96 -25.78 67.27 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.423 0.527 . . . . 1.68 112.423 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.589 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.93 -25.84 25.88 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.016 -0.735 . . . . 0.71 109.016 -178.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.57 41.24 7.4 Favored Glycine 0 CA--C 1.501 -0.793 0 N-CA-C 109.975 -1.25 . . . . 0.68 109.975 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.589 HG22 ' HB3' ' A' ' 13' ' ' ALA . 33.9 m -141.31 -167.01 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 114.482 -0.859 . . . . 0.62 110.334 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -106.9 151.84 24.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 1.03 109.874 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.559 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 42.4 p90 -49.72 -44.39 48.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.86 -0.609 . . . . 1.38 111.022 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -28.27 69.75 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 111.933 0.346 . . . . 2.08 111.933 176.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -68.12 -42.75 79.76 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 107.842 -1.17 . . . . 0.61 107.842 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.597 ' HA ' HG11 ' A' ' 38' ' ' VAL . 87.9 t -58.86 -50.95 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 114.952 -1.022 . . . . 0.65 111.708 177.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.5 t -64.71 -25.2 67.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.32 0.581 . . . . 1.22 110.563 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.482 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 5.7 ttp180 -69.77 -29.62 67.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.703 -0.68 . . . . 2.65 109.326 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.2 t -86.0 -48.82 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 121.136 0.494 . . . . 0.92 110.844 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.1 t -56.01 -47.06 80.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.616 -0.72 . . . . 0.94 112.762 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.521 ' C ' ' HG2' ' A' ' 26' ' ' GLN . 76.9 m-20 -97.01 -10.53 26.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 114.019 1.118 . . . . 1.24 114.019 -178.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.521 ' HG2' ' C ' ' A' ' 25' ' ' ASN . 2.2 mm-40 -142.68 -117.55 0.1 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.862 0.755 . . . . 4.46 110.659 -177.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 163.27 -37.65 0.0 OUTLIER 'General case' 0 C--O 1.234 0.255 0 O-C-N 124.464 1.103 . . . . 2.66 110.565 -177.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 7.1 m -74.5 157.4 35.6 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.01 -0.995 . . . . 2.08 110.702 -178.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 28' ' ' SER . 57.5 m170 71.08 16.64 6.33 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.856 0.836 . . . . 1.63 109.67 -178.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -132.8 126.26 53.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 CA-C-N 114.913 -1.04 . . . . 1.05 108.325 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 p -61.78 152.25 31.92 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.754 -0.832 . . . . 1.29 108.754 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.88 -6.18 25.64 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.92 -0.582 . . . . 1.09 111.633 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 33' ' ' LYS . 11.6 ttpt -90.85 -45.25 8.9 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.216 -1.031 . . . . 3.08 108.216 -177.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.546 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.9 p -77.29 -24.61 50.95 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.676 -0.693 . . . . 0.98 112.416 -178.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -58.54 -54.86 42.27 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 120.086 -0.646 . . . . 3.63 110.585 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.68 -26.16 68.54 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 113.554 0.946 . . . . 1.72 113.554 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.546 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -85.96 -24.81 26.37 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 119.945 -0.702 . . . . 1.44 110.563 -178.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' ' 20' ' ' VAL . 58.6 t -75.79 -38.59 37.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 107.038 -1.467 . . . . 0.68 107.038 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -71.81 -2.71 18.67 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 113.922 -1.49 . . . . 1.7 108.485 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -96.57 -45.11 6.86 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.001 -1.481 . . . . 0.78 107.001 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.39 84.07 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 113.565 -1.652 . . . . 0.79 112.031 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.8 mtt -58.18 -30.9 66.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.372 -0.376 . . . . 0.87 111.787 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.88 -37.87 23.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.383 0.611 . . . . 0.93 109.747 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 32.3 mm-40 -62.07 -56.92 14.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.668 -1.151 . . . . 1.55 112.079 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.534 HD21 ' CD2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -88.11 -11.64 46.41 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.888 -1.505 . . . . 1.79 111.841 -177.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 66.81 69.26 0.41 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.158 -0.682 . . . . 2.2 109.158 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.512 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.9 t80 -82.54 125.17 30.83 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 123.592 0.757 . . . . 1.38 112.112 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 118.9 22.85 Favored Pre-proline 0 N--CA 1.454 -0.271 0 N-CA-C 108.737 -0.838 . . . . 1.39 108.737 176.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.3 129.12 32.46 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.385 2.056 . . . . 0.78 112.592 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -77.14 113.14 14.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.69 110.954 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 51' ' ' ARG . 29.4 mmt180 -63.32 -35.94 82.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.732 -0.667 . . . . 4.2 112.327 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -66.57 -44.6 81.85 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 122.278 -0.264 . . . . 0.7 110.47 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.73 -49.24 77.22 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.482 -0.562 . . . . 0.53 109.482 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.401 ' OE1' ' HD3' ' A' ' 51' ' ' ARG . 96.5 mt-30 -55.43 -41.79 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.046 -0.979 . . . . 1.67 110.336 177.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -74.09 -21.01 60.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.492 -0.776 . . . . 2.66 112.363 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -87.91 -46.32 9.5 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 109.211 -0.662 . . . . 0.61 109.211 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.62 -59.18 4.93 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.549 -1.205 . . . . 0.85 110.525 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.575 0 C-N-CA 117.154 -2.45 . . . . 1.86 115.3 178.538 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo . . . . . 0 C--O 1.235 0.356 0 N-CA-C 112.406 0.118 . . . . 1.75 112.406 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.638 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 69.3 t -138.28 161.72 31.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 C-N-CA 120.813 -0.355 . . . . 0.83 110.831 -178.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.464 HG22 ' HB2' ' B' ' 50' ' ' ASN . 43.1 p -132.36 159.35 39.46 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 119.2 -0.429 . . . . 0.68 110.93 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.63 ' HG ' HG11 ' B' ' 20' ' ' VAL . 0.4 OUTLIER -52.87 -27.15 17.18 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.48 0.487 . . . . 0.66 112.036 177.107 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -71.34 -29.39 64.93 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.5 0.666 . . . . 1.22 111.374 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -76.93 -35.07 57.57 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.63 -0.714 . . . . 1.45 109.529 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.623 ' HA ' HD23 ' B' ' 45' ' ' LEU . 57.9 t -68.51 -43.58 83.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 115.21 -0.905 . . . . 0.55 110.694 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.13 74.96 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.656 -0.702 . . . . 0.63 111.022 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.32 -48.28 81.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.095 -0.957 . . . . 2.46 111.293 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.585 ' CB ' HD21 ' B' ' 45' ' ' LEU . 17.9 t80 -64.38 -53.93 40.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 113.172 0.805 . . . . 1.39 113.172 -178.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.985 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -63.9 -27.45 69.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.373 0.606 . . . . 0.69 110.333 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.24 50.72 3.76 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.25 -0.74 . . . . 1.09 111.25 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 22.8 m -140.55 159.93 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 109.121 -0.696 . . . . 0.62 109.121 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.448 ' O ' ' HB ' ' B' ' 19' ' ' THR . 66.4 m -67.93 154.55 41.34 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.41 -0.589 . . . . 1.31 109.41 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.561 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -59.71 -39.09 83.48 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.959 -0.386 . . . . 1.58 109.959 -178.663 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -56.34 -38.66 71.65 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 110.02 -0.363 . . . . 0.89 110.02 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' B' ' 16' ' ' SER . 94.0 m -55.13 -38.17 67.87 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.599 -0.728 . . . . 0.64 111.22 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.63 HG11 ' HG ' ' B' ' 6' ' ' LEU . 8.8 t -66.12 -47.85 83.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.875 -0.602 . . . . 1.17 109.85 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 12.7 t -52.02 -50.11 62.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.415 -1.328 . . . . 1.13 107.415 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' B' ' 22' ' ' ARG . 29.1 mtm180 -53.16 -39.99 63.97 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 114.768 -1.106 . . . . 2.87 112.192 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -75.8 -42.15 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.86 110.66 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.51 -40.4 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.47 0.653 . . . . 1.03 110.692 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -81.99 -4.22 56.22 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.381 -0.827 . . . . 1.25 111.452 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.456 ' OE1' ' HD3' ' B' ' 35' ' ' ARG . 3.7 mm100 52.5 39.8 28.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.243 0.544 . . . . 3.75 109.818 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.37 174.1 11.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.951 -1.022 . . . . 2.36 111.437 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 15.1 m -84.23 173.42 11.02 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.317 -0.856 . . . . 1.96 110.944 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' B' ' 28' ' ' SER . 56.3 m170 71.92 30.18 2.29 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.371 0.668 . . . . 1.34 111.295 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.44 123.67 66.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.189 -0.46 . . . . 1.1 110.104 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.532 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 53.4 m -67.81 154.85 40.65 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 123.776 0.673 . . . . 0.98 109.567 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.02 -48.17 83.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.062 0.458 . . . . 1.12 111.385 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -59.45 -54.19 49.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.569 -0.741 . . . . 3.25 110.957 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.3 OUTLIER -55.5 -34.22 64.42 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.79 -0.641 . . . . 0.77 111.225 178.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.456 ' HD3' ' OE1' ' B' ' 26' ' ' GLN . 8.5 ttm180 -67.69 -56.33 9.72 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 120.873 0.368 . . . . 3.59 111.126 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -61.47 -28.97 69.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.933 -0.576 . . . . 1.96 111.082 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.985 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 18.7 ttmm -63.1 -40.26 97.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.319 -0.855 . . . . 1.91 110.746 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' B' ' 42' ' ' MET . 93.5 t -75.82 -39.19 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 115.314 -0.857 . . . . 0.62 110.163 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.29 -38.28 90.56 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.552 -0.536 . . . . 1.68 109.552 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.26 -47.43 67.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.026 -0.534 . . . . 0.77 111.311 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.88 -28.71 24.33 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.952 -0.567 . . . . 0.65 111.429 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.602 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 44.5 mtt -64.11 -20.91 66.3 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.462 -0.79 . . . . 0.71 110.428 -178.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.68 -49.11 7.06 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 112.236 0.458 . . . . 0.9 112.236 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.3 -47.38 83.86 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.546 -0.752 . . . . 1.58 110.509 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.0 OUTLIER -72.91 -22.78 60.68 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.425 -1.261 . . . . 1.14 112.501 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.415 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.2 OUTLIER 67.61 40.36 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.195 -1.409 . . . . 1.24 107.195 -175.266 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.638 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.8 t80 -49.72 116.92 1.98 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 114.851 -1.068 . . . . 1.46 111.181 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 46' ' ' ASN . 42.6 mm -130.81 99.03 18.72 Favored Pre-proline 0 N--CA 1.44 -0.966 0 N-CA-C 103.284 -2.858 . . . . 1.34 103.284 177.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . 0.48 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 3.5 Cg_exo -30.45 127.08 0.07 OUTLIER 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 125.047 3.831 . . . . 0.72 116.513 -175.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.464 ' HB2' HG22 ' B' ' 5' ' ' THR . 55.5 t-20 -66.55 79.05 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.594 -1.185 . . . . 0.85 111.181 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.484 ' NH1' ' HG2' ' B' ' 55' ' ' GLN . 3.0 mmp_? -48.39 -31.22 5.88 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 114.05 1.13 . . . . 4.55 114.05 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 3.5 m -67.36 -57.91 5.74 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.598 0.713 . . . . 0.73 110.378 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.86 71.62 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.882 -0.599 . . . . 0.64 110.758 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.48 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 20.2 mt-30 -66.8 -21.67 66.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.84 -0.618 . . . . 1.04 111.946 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.484 ' HG2' ' NH1' ' B' ' 51' ' ' ARG . 1.8 mm-40 -92.84 -24.3 18.54 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 121.894 -0.504 . . . . 2.45 110.185 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' B' ' 56' ' ' LEU . 2.7 tp -79.07 -38.56 36.06 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.281 -1.007 . . . . 0.65 108.281 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.61 0.83 41.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.433 -0.803 . . . . 1.07 111.664 -178.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.359 0 CA-C-O 119.481 -0.622 . . . . 1.6 114.633 178.693 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo . . . . . 0 N--CA 1.45 -1.076 0 CA-C-O 121.086 0.369 . . . . 1.9 112.32 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.702 HG11 ' HG ' ' A' ' 45' ' ' LEU . 75.6 t -127.2 131.42 70.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 107.614 -1.254 . . . . 0.99 107.614 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 9' ' ' VAL . 4.0 p -88.05 167.08 13.99 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 113.371 0.878 . . . . 0.72 113.371 -177.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.546 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.1 pt? -67.66 -16.93 64.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.541 -1.209 . . . . 0.66 108.908 178.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -76.3 -42.14 46.3 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.745 -0.661 . . . . 0.68 109.45 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.57 -42.45 96.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.574 -1.269 . . . . 1.86 107.574 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 5' ' ' THR . 37.4 t -62.7 -46.65 95.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 112.736 -2.029 . . . . 0.66 110.017 178.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.79 -41.43 86.68 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.028 -0.987 . . . . 0.65 110.12 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.22 -48.48 67.69 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.948 -0.569 . . . . 2.41 110.331 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.582 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.4 t80 -62.17 -27.66 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.539 -0.755 . . . . 1.68 110.899 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -94.7 -19.3 20.52 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 115.551 -0.75 . . . . 0.71 111.188 -177.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.63 38.06 21.61 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.924 -0.87 . . . . 0.68 110.924 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 35.9 m -132.81 -169.23 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.84 -0.68 . . . . 0.62 110.527 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.3 p -99.9 150.43 22.39 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.223 -1.029 . . . . 1.03 108.223 177.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.546 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 44.3 p90 -48.3 -39.17 20.91 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 123.651 0.594 . . . . 1.38 110.02 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -30.77 71.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.114 -0.494 . . . . 2.08 112.129 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.425 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 53.3 m -63.95 -41.38 97.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.477 0.656 . . . . 0.61 109.477 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' ' 24' ' ' VAL . 62.0 t -58.9 -48.32 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 114.858 -1.065 . . . . 0.65 110.824 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -67.63 -25.27 65.66 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 121.09 0.471 . . . . 1.22 110.126 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -67.7 -37.03 81.73 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 109.216 -0.661 . . . . 2.65 109.216 179.324 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.3 t -81.47 -48.95 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 112.022 0.379 . . . . 0.92 112.022 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 20' ' ' VAL . 41.1 t -56.42 -44.38 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 115.912 -0.586 . . . . 0.94 111.22 -178.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -85.83 -37.04 19.63 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.326 0.862 . . . . 1.24 113.326 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.411 ' HB2' ' H ' ' A' ' 27' ' ' ALA . 37.5 mt-30 -139.31 -92.7 0.18 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.737 1.014 . . . . 4.46 113.737 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' A' ' 26' ' ' GLN . . . 102.02 120.76 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.622 1.969 . . . . 2.66 108.931 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 23.4 p 159.57 -0.59 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.561 1.172 . . . . 2.08 109.982 -177.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -131.9 15.66 4.75 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.504 -1.68 . . . . 1.63 106.641 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -138.29 126.36 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 114.048 -1.433 . . . . 1.05 108.703 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.7 p -63.26 146.66 52.95 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 123.76 0.663 . . . . 1.29 110.779 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.5 -37.83 70.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.672 . . . . 1.09 111.452 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -51.54 -45.36 62.97 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.042 -0.526 . . . . 3.08 111.301 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -89.51 -33.74 16.65 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.856 -0.611 . . . . 0.98 112.115 -179.139 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -56.76 -57.61 11.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.83 0.348 . . . . 3.63 111.767 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.99 -18.41 65.27 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.608 0.718 . . . . 1.72 110.06 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -83.55 -28.95 28.24 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.068 -0.969 . . . . 1.44 110.259 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 34' ' ' THR . 88.9 t -78.35 -40.99 25.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.267 0.556 . . . . 0.68 109.663 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.05 -32.94 71.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.277 -0.874 . . . . 1.7 109.054 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.622 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.43 -33.43 48.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.571 -1.195 . . . . 0.78 111.011 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.665 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -60.56 -42.13 95.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 0.79 109.688 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.6 mtt -57.71 -28.75 64.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.726 -1.125 . . . . 0.87 113.256 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.77 -30.26 29.05 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.643 0.735 . . . . 0.93 110.05 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.622 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 57.1 mm-40 -67.9 -58.98 3.66 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.269 -1.332 . . . . 1.55 112.503 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.702 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -88.37 -4.54 58.64 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.483 -0.781 . . . . 1.79 111.839 -179.331 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 28.1 m120 71.28 70.66 0.17 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.575 0.547 . . . . 2.2 111.721 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.556 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 17.8 t80 -84.79 127.97 34.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.689 -0.687 . . . . 1.38 111.632 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.12 106.16 36.4 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 115.958 -0.564 . . . . 1.39 109.72 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -54.69 120.92 8.89 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.889 2.392 . . . . 0.78 112.03 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -77.9 103.5 7.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.566 . . . . 0.69 110.639 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 23.0 mmt180 -66.26 -25.86 67.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.14 -0.482 . . . . 4.2 111.307 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.86 -37.94 82.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.801 -0.815 . . . . 0.7 108.801 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -76.76 -39.6 51.09 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.924 -1.035 . . . . 0.53 109.335 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -60.6 -34.52 74.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.903 -1.044 . . . . 1.67 109.917 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 51.9 mt-30 -75.89 -38.28 57.98 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.994 -0.372 . . . . 2.66 109.994 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.442 HD22 HD22 ' B' ' 56' ' ' LEU . 7.4 tp -61.14 -53.76 52.97 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.738 -0.665 . . . . 0.61 112.144 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.19 -21.45 24.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.375 -0.375 . . . . 0.85 111.883 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.893 0 C-N-CA 120.854 -0.689 . . . . 1.86 113.642 -178.495 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo . . . . . 0 N--CA 1.457 -0.625 0 N-CA-C 110.577 -0.586 . . . . 1.75 110.577 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.707 HG21 ' O ' ' B' ' 45' ' ' LEU . 74.4 t -95.78 160.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.699 -0.482 . . . . 0.83 109.699 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.439 ' N ' HG12 ' B' ' 4' ' ' VAL . 14.0 p -134.34 159.85 39.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.741 -0.663 . . . . 0.68 109.959 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.672 ' HG ' HG11 ' B' ' 20' ' ' VAL . 3.8 tt -56.46 -26.25 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.174 0.511 . . . . 0.66 109.776 177.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -65.55 -39.74 92.05 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.133 -0.485 . . . . 1.22 110.668 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.7 -40.1 95.96 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.827 -0.805 . . . . 1.45 108.827 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.591 ' HA ' HD23 ' B' ' 45' ' ' LEU . 38.4 t -62.99 -43.63 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 CA-C-N 114.386 -1.279 . . . . 0.55 109.507 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.746 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.58 -59.73 4.57 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.524 -0.762 . . . . 0.63 111.672 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -54.55 -51.84 63.96 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.649 -1.159 . . . . 2.46 112.136 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.567 ' CB ' HD21 ' B' ' 45' ' ' LEU . 35.1 t80 -62.1 -50.12 73.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.383 0.512 . . . . 1.39 112.383 -178.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -63.4 -21.65 66.41 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.806 -0.634 . . . . 0.69 111.36 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.48 48.57 7.96 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.437 -0.887 . . . . 1.09 111.091 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.458 HG12 HG22 ' B' ' 34' ' ' THR . 22.8 m -139.12 169.17 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 108.579 -0.897 . . . . 0.62 108.579 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 51.4 p -81.52 164.54 21.9 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.307 -0.627 . . . . 1.31 109.307 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.514 ' HE1' HD22 ' B' ' 6' ' ' LEU . 1.9 t80 -53.96 -54.34 40.27 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 123.725 0.81 . . . . 1.58 111.043 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.475 ' HG3' ' HG3' ' B' ' 22' ' ' ARG . 48.5 tp60 -54.74 -35.86 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.738 -0.665 . . . . 0.89 111.34 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -59.06 -42.74 91.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.459 0.647 . . . . 0.64 111.114 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.746 HG21 ' HB2' ' B' ' 10' ' ' ALA . 3.4 t -63.34 -48.37 87.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.162 -0.926 . . . . 1.17 110.226 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.5 m -62.6 -46.05 90.06 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.544 -0.91 . . . . 1.13 108.544 177.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.57 ' HB3' ' HB2' ' B' ' 27' ' ' ALA . 6.4 mtt-85 -50.66 -45.09 57.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.005 -1.452 . . . . 2.87 111.981 178.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.8 t -76.11 -25.74 17.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-O 121.433 0.635 . . . . 0.86 110.573 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -23.83 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 115.59 -0.732 . . . . 1.03 109.689 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -103.11 -91.01 0.36 Allowed 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 116.078 -0.51 . . . . 1.25 111.596 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -165.94 52.08 0.09 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.87 0.693 . . . . 3.75 112.87 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.57 ' HB2' ' HB3' ' B' ' 22' ' ' ARG . . . -65.98 110.13 2.8 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.876 0.695 . . . . 2.36 112.876 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.5 m -72.51 -52.47 15.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.243 -0.89 . . . . 1.96 112.609 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -88.22 67.6 8.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.49 0.662 . . . . 1.34 111.791 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 37.7 t -143.58 141.72 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.542 -1.281 . . . . 1.1 107.542 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -66.5 151.22 47.68 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.852 -0.339 . . . . 0.98 110.119 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.15 98.01 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.075 -0.25 . . . . 1.12 111.318 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -52.79 -55.77 20.52 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.822 0.344 . . . . 3.25 111.471 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.505 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -57.8 -37.29 73.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.643 -0.708 . . . . 0.77 111.833 -178.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -66.82 -49.1 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.971 0.415 . . . . 3.59 110.801 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -64.85 -34.94 79.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.806 -0.634 . . . . 1.96 111.283 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' B' ' 13' ' ' ALA . 4.0 tppp? -63.11 -42.29 99.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.95 -0.568 . . . . 1.91 111.818 -178.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.578 HG13 HG13 ' B' ' 20' ' ' VAL . 62.1 t -65.69 -42.46 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.634 -0.257 . . . . 0.62 111.345 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.11 -30.93 70.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.905 0.383 . . . . 1.68 109.974 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.21 -46.17 35.64 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.125 -0.489 . . . . 0.77 110.935 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.443 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -54.02 -25.34 20.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.264 0.554 . . . . 0.65 111.418 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 62.2 mtt -64.83 -20.86 66.63 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.806 -0.633 . . . . 0.71 110.478 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.01 -51.43 5.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.626 -0.715 . . . . 0.9 110.838 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.69 -51.13 68.31 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.696 0.76 . . . . 1.58 111.297 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.707 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -73.69 -14.55 61.17 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.943 -1.026 . . . . 1.14 112.339 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.82 43.33 5.51 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 107.607 -1.257 . . . . 1.24 107.607 -175.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.608 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.9 t80 -58.65 127.42 32.1 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.256 -0.884 . . . . 1.46 110.891 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 74.2 mt -136.34 105.3 9.34 Favored Pre-proline 0 N--CA 1.438 -1.028 0 N-CA-C 104.515 -2.402 . . . . 1.34 104.515 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -34.81 127.79 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.903 3.069 . . . . 0.72 114.881 -176.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -63.05 90.54 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.03 -0.986 . . . . 0.85 109.599 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -51.89 -22.74 4.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.843 1.053 . . . . 4.55 113.843 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 19.6 m -82.15 -57.06 3.56 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.126 -0.63 . . . . 0.73 110.666 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.52 74.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.791 -0.64 . . . . 0.64 110.382 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -71.04 -26.51 63.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 1.04 110.385 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -75.86 -21.73 56.92 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.105 -1.072 . . . . 2.45 108.105 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -84.02 -44.83 13.73 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.089 -1.414 . . . . 0.65 110.412 179.704 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 -2.94 18.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.199 0.444 . . . . 1.07 112.199 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.372 0 C-N-CA 120.426 -0.892 . . . . 1.6 113.858 179.313 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 ptm . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 110.205 -0.294 . . . . 6.94 110.205 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -104.08 130.49 23.29 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.617 0.246 . . . . 5.85 110.652 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.7 139.07 43.08 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.001 1.801 . . . . 1.9 110.886 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.563 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 26.9 t -105.94 167.76 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 106.469 -1.678 . . . . 0.99 106.469 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.4 p -139.08 165.18 27.81 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 118.042 0.383 . . . . 0.72 110.074 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.537 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.3 pt? -61.64 -16.87 52.43 Favored 'General case' 0 C--N 1.313 -0.986 0 O-C-N 124.238 0.961 . . . . 0.66 109.602 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -79.14 -41.25 28.96 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 116.061 -0.518 . . . . 0.68 110.152 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.87 -39.01 90.42 Favored 'General case' 0 CA--C 1.513 -0.473 0 N-CA-C 108.162 -1.051 . . . . 1.86 108.162 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 5' ' ' THR . 36.4 t -63.34 -47.16 93.28 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 112.512 -2.131 . . . . 0.66 109.411 178.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -64.16 -38.7 91.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.408 -0.814 . . . . 0.65 112.131 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -68.93 -45.28 71.22 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 116.304 -0.407 . . . . 2.41 110.835 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.405 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 40.5 t80 -72.54 -25.87 61.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.343 -0.39 . . . . 1.68 111.694 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.578 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -89.1 -16.74 30.77 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.218 -0.66 . . . . 0.71 109.218 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.52 41.16 66.72 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.565 -1.014 . . . . 0.68 110.565 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.578 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.1 m -131.16 -176.01 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 CA-C-N 114.517 -0.841 . . . . 0.62 109.733 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.4 m -92.64 150.01 20.97 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 107.454 -1.313 . . . . 1.03 107.454 177.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.537 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.2 p90 -54.09 -39.46 66.38 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 119.772 -0.771 . . . . 1.38 110.611 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.501 ' NE2' ' N4 ' ' D' ' 15' ' ' ' DC' . 0.3 OUTLIER -54.71 -40.28 69.03 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.313 -0.403 . . . . 2.08 110.902 175.288 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.596 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 92.4 m -62.3 -41.34 98.44 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-N 116.149 -0.478 . . . . 0.61 109.824 -178.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.708 ' HA ' HG11 ' A' ' 38' ' ' VAL . 55.4 t -59.47 -52.73 57.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.27 -0.877 . . . . 0.65 110.307 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 11.8 m -61.06 -31.01 70.68 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.457 -0.338 . . . . 1.22 111.48 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.596 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 15.2 mtm180 -67.63 -30.51 70.09 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.988 -0.745 . . . . 2.65 108.988 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.641 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 66.7 t -81.51 -42.16 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 114.938 -1.028 . . . . 0.92 109.547 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 20' ' ' VAL . 21.4 t -61.55 -45.35 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-O 121.492 0.663 . . . . 0.94 109.933 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' ' 21' ' ' SER . 2.1 m-80 -65.87 -33.08 75.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.131 -0.94 . . . . 1.24 110.922 178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.641 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 6.4 mt-30 63.3 51.35 2.7 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.762 -0.654 . . . . 4.46 111.703 178.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.53 -160.69 0.73 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.253 0.549 . . . . 2.66 111.918 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.16 176.02 9.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.566 -0.743 . . . . 2.08 110.573 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.431 ' HB3' ' H72' ' C' ' 3' ' ' ' DT' . 48.6 m170 65.51 31.51 10.09 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.733 0.778 . . . . 1.63 109.671 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.501 ' CG2' ' HB3' ' A' ' 22' ' ' ARG . 76.4 t -137.83 124.88 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 114.883 -1.053 . . . . 1.05 109.21 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.4 p -85.47 146.43 26.95 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.459 -0.571 . . . . 1.29 109.459 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.478 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.34 -33.19 69.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.023 0.379 . . . . 1.09 112.023 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 ttpt -57.66 -49.86 75.09 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.054 0.454 . . . . 3.08 111.458 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -69.55 -35.66 75.62 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.577 -0.283 . . . . 0.98 111.34 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HG2' HG13 ' A' ' 23' ' ' VAL . 16.5 ttp180 -55.59 -46.54 77.25 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.222 0.453 . . . . 3.63 112.222 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 39.9 mt-10 -74.19 -28.43 61.28 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 113.094 0.776 . . . . 1.72 113.094 -177.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -79.59 -27.33 41.13 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 120.188 -0.605 . . . . 1.44 110.291 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.708 HG11 ' HA ' ' A' ' 20' ' ' VAL . 80.8 t -82.26 -39.85 16.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.571 0.701 . . . . 0.68 109.47 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.61 -29.25 70.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.374 -0.83 . . . . 1.7 109.244 179.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -69.8 -40.42 75.97 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.817 -1.083 . . . . 0.78 110.771 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.73 -36.78 85.39 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.539 -0.755 . . . . 0.79 111.411 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 24.3 mtt -64.43 -24.97 67.81 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.012 -0.54 . . . . 0.87 111.945 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.3 -34.74 28.51 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.712 0.767 . . . . 0.93 109.72 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 69.7 mm-40 -67.37 -56.47 9.56 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.091 -1.413 . . . . 1.55 112.838 -179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.459 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -85.8 -9.7 56.65 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.186 -1.37 . . . . 1.79 112.159 -177.37 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.4 m120 66.12 61.89 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 123.675 0.609 . . . . 2.2 109.756 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.563 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.1 t80 -78.89 124.44 28.24 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.955 -0.566 . . . . 1.38 111.902 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 mp -111.77 111.95 53.79 Favored Pre-proline 0 N--CA 1.45 -0.471 0 CA-C-N 115.664 -0.698 . . . . 1.39 109.423 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.05 125.07 14.54 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.93 2.42 . . . . 0.78 112.604 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -76.71 101.73 5.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.807 -0.633 . . . . 0.69 111.112 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -62.51 -22.58 66.39 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.355 -0.384 . . . . 4.2 112.018 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.443 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.5 OUTLIER -80.27 -29.94 38.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.258 0.551 . . . . 0.7 109.777 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.551 ' HB3' " C5'" ' D' ' 13' ' ' ' DC' . . . -76.37 -40.46 50.98 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.095 -0.706 . . . . 0.53 109.095 177.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -61.35 -27.81 68.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.076 -0.965 . . . . 1.67 109.538 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -83.26 -30.7 27.43 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.473 -0.785 . . . . 2.66 110.235 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.789 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 7.6 tp -69.0 -43.69 74.3 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.61 110.199 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.67 -24.9 25.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.603 -0.726 . . . . 0.85 111.719 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.96 116.26 4.22 Favored Glycine 0 N--CA 1.448 -0.537 0 N-CA-C 111.383 -0.687 . . . . 1.86 111.383 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -73.6 119.41 17.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.329 0.585 . . . . 6.17 112.154 -178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 52.64 46.29 27.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.513 -1.221 . . . . 6.76 111.94 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.2 m -77.09 -43.69 33.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.024 0.44 . . . . 7.52 109.89 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 117.965 -1.017 . . . . 9.27 108.721 178.683 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 58.4 tpp . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.838 -0.43 . . . . 6.54 109.838 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -75.02 -48.01 4.56 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 112.557 0.577 . . . . 5.5 112.557 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -74.24 142.94 31.13 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.743 1.628 . . . . 1.75 111.032 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.696 HG21 ' O ' ' B' ' 45' ' ' LEU . 55.2 t -71.24 158.22 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.51 -0.313 . . . . 0.83 110.909 -179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.755 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 10.7 p -127.73 157.35 40.57 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.029 0.442 . . . . 0.68 110.159 -177.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.557 HD22 ' OP2' ' C' ' 13' ' ' ' DA' . 0.9 OUTLIER -55.04 -27.55 45.45 Favored 'General case' 0 N--CA 1.434 -1.228 0 O-C-N 121.276 -0.89 . . . . 0.66 111.428 177.578 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.563 ' CE2' " H2'" ' C' ' 12' ' ' ' DG' . 26.2 m-85 -66.19 -35.76 81.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.702 -0.681 . . . . 1.22 110.021 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -69.51 -35.39 75.46 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.34 0.591 . . . . 1.45 109.8 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.605 ' HA ' HD23 ' B' ' 45' ' ' LEU . 43.7 t -68.17 -43.3 85.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 114.938 -1.028 . . . . 0.55 111.008 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.503 ' HB2' HG11 ' B' ' 20' ' ' VAL . . . -60.87 -52.02 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.63 110.766 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -59.12 -49.06 79.33 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.214 -0.903 . . . . 2.46 111.834 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.566 ' CB ' HD21 ' B' ' 45' ' ' LEU . 29.5 t80 -60.02 -51.06 71.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.717 0.636 . . . . 1.39 112.717 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.919 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -68.01 -16.9 64.25 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 120.681 0.276 . . . . 0.69 111.031 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.14 46.26 8.35 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.942 -1.123 . . . . 1.09 112.44 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 7.8 m -133.41 170.44 19.93 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 109.054 -0.721 . . . . 0.62 109.054 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 62.7 p -70.82 158.98 35.42 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.296 -1.002 . . . . 1.31 108.296 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.68 -14.11 62.09 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.911 0.386 . . . . 1.58 111.503 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -85.71 -33.56 21.47 Favored 'General case' 0 CA--C 1.516 -0.347 0 O-C-N 121.155 -0.966 . . . . 0.89 108.571 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.0 m -56.15 -44.63 79.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.376 -1.284 . . . . 0.64 111.203 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.503 HG11 ' HB2' ' B' ' 10' ' ' ALA . 7.7 p -61.8 -46.82 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.16 0 C-N-CA 120.956 -0.298 . . . . 1.17 110.633 -179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.415 ' OG ' ' H73' ' C' ' 14' ' ' ' DT' . 43.1 m -61.26 -47.07 87.73 Favored 'General case' 0 C--N 1.34 0.174 0 N-CA-C 108.444 -0.947 . . . . 1.13 108.444 177.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' B' ' 22' ' ' ARG . 24.2 mtm-85 -50.96 -42.05 59.7 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.478 -1.237 . . . . 2.87 112.354 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.401 HG22 HG11 ' B' ' 30' ' ' VAL . 66.7 t -71.54 -36.19 59.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.283 0.564 . . . . 0.86 110.14 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 40.9 t -66.75 -30.35 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 CA-C-N 115.717 -0.674 . . . . 1.03 110.677 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.519 HD21 ' P ' ' C' ' 14' ' ' ' DT' . 10.9 m-80 -92.78 -1.46 56.78 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.418 -0.356 . . . . 1.25 110.947 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 55.39 42.77 29.76 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.292 0.567 . . . . 3.75 110.124 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.74 158.61 24.3 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.534 -0.757 . . . . 2.36 111.826 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 p -82.43 -17.51 45.11 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 121.388 0.613 . . . . 1.96 111.284 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.432 ' HA ' ' OP2' ' D' ' 3' ' ' ' DT' . 49.3 m170 -85.08 39.27 0.76 Allowed 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.552 -0.749 . . . . 1.34 109.767 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.401 HG11 HG22 ' B' ' 23' ' ' VAL . 6.6 t -135.56 130.05 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.287 0.565 . . . . 1.1 111.526 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.474 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 49.3 m -77.97 157.46 29.68 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.064 -0.971 . . . . 0.98 109.577 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.53 -54.56 42.48 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.107 0.48 . . . . 1.12 111.75 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -52.18 -55.49 20.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.449 -0.796 . . . . 3.25 110.524 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.474 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -53.4 -39.09 64.01 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.718 -0.674 . . . . 0.77 111.654 -179.486 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -68.31 -43.13 78.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.181 0.515 . . . . 3.59 111.074 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -71.04 -31.28 67.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.726 -0.67 . . . . 1.96 111.215 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.919 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 16.2 ttmm -64.67 -48.49 74.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.532 0.682 . . . . 1.91 110.557 -178.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.577 ' O ' ' HG3' ' B' ' 42' ' ' MET . 96.5 t -69.83 -35.42 64.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.29 -0.868 . . . . 0.62 111.615 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -70.72 -31.12 67.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.865 0.364 . . . . 1.68 110.352 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.97 -45.97 54.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.02 -0.536 . . . . 0.77 110.006 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.23 -27.38 34.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.23 -0.895 . . . . 0.65 110.976 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.577 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 51.0 mtt -64.44 -19.87 65.81 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.001 -0.545 . . . . 0.71 111.586 179.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.39 -53.38 4.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.9 110.408 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.28 -50.47 72.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.13 -0.941 . . . . 1.58 110.381 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.696 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -69.45 -22.99 63.61 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.939 -1.028 . . . . 1.14 112.212 -179.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.538 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.9 OUTLIER 62.89 43.28 6.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 107.107 -1.442 . . . . 1.24 107.107 -175.222 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.65 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.2 t80 -54.55 122.04 9.7 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 114.678 -1.146 . . . . 1.46 110.675 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 46' ' ' ASN . 13.6 mm -133.58 97.01 16.22 Favored Pre-proline 0 N--CA 1.435 -1.212 0 N-CA-C 104.02 -2.585 . . . . 1.34 104.02 178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.474 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 1.2 Cg_exo -30.52 129.55 0.06 OUTLIER 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 125.078 3.852 . . . . 0.72 115.789 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.454 HD22 " H5'" ' C' ' 12' ' ' ' DG' . 60.2 t-20 -67.68 86.38 0.21 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.452 -0.795 . . . . 0.85 111.206 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.34 -24.93 0.86 Allowed 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.814 1.042 . . . . 4.55 113.814 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.1 m -76.88 -57.49 3.82 Favored 'General case' 0 C--N 1.316 -0.89 0 O-C-N 121.761 -0.587 . . . . 0.73 111.348 -177.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.19 -37.08 64.04 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.954 -0.566 . . . . 0.64 110.628 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.474 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 6.0 mt-30 -58.84 -39.43 81.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 1.04 112.054 -179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.6 -48.15 67.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.442 -1.318 . . . . 2.45 107.442 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.685 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.1 tp -53.64 -42.02 67.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.141 -0.936 . . . . 0.65 111.121 176.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.75 -5.16 57.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.584 -0.28 . . . . 1.07 111.369 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 161.92 -74.79 0.19 Allowed Glycine 0 CA--C 1.522 0.505 0 C-N-CA 120.227 -0.987 . . . . 1.6 113.739 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -149.79 170.23 19.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.572 -0.369 . . . . 5.04 110.471 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -82.67 9.98 8.43 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.867 0.321 . . . . 6.57 111.867 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.36 -68.28 0.39 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.164 0.506 . . . . 6.55 109.943 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.559 -0.734 . . . . 8.33 109.288 179.347 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . 0.413 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.499 -1.558 0 C3'-C2'-C1' 99.085 -2.582 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.413 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.049 0 C3'-C2'-C1' 99.37 -2.379 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.451 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-C2' 103.634 -2.242 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.457 ' C4 ' ' C4 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-C2' 103.8 -2.091 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.523 ' C2 ' ' C5 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C3'-C2'-C1' 99.265 -2.454 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.641 " C2'" ' H71' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.165 0 O4'-C1'-C2' 103.987 -1.921 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.641 ' H71' " C2'" ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.081 0 C3'-C2'-C1' 99.732 -2.12 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 C3'-C2'-C1' 99.38 -2.372 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.891 0 C3'-C2'-C1' 99.595 -2.218 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.425 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 98.737 -2.831 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.5 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.773 0 O4'-C1'-C2' 103.881 -2.017 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.789 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.5 -1.482 0 C3'-C2'-C1' 99.024 -2.625 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.755 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.588 -1.622 0 C3'-C2'-C1' 99.868 -2.023 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.557 ' OP2' HD22 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C3'-C2'-C1' 99.458 -2.316 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.519 ' P ' HD21 ' B' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C3'-C2'-C1' 100.104 -1.855 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . 0.411 " H1'" " H5'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.852 0 O4'-C1'-C2' 104.175 -1.75 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.411 " H5'" " H1'" ' C' ' 15' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.885 0 O4'-C1'-C2' 103.896 -2.004 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.405 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.502 -1.332 0 C3'-C2'-C1' 99.868 -2.023 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.888 0 C3'-C2'-C1' 99.831 -2.049 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.795 0 C3'-C2'-C1' 100.023 -1.912 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.501 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-C1' 99.665 -2.168 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.501 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.181 0 C3'-C2'-C1' 99.641 -2.185 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.494 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.925 0 C3'-C2'-C1' 99.19 -2.507 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . 0.411 H2'' ' H8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.967 0 C4'-C3'-C2' 101.886 -1.314 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.451 ' C6 ' ' N6 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.433 -0.446 0 C4'-C3'-C2' 102.067 -1.133 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.451 ' N6 ' ' C6 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.62 0 C5'-C4'-C3' 117.068 1.579 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.572 ' C6 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C3'-C2'-C1' 104.141 1.029 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.572 ' H72' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.41 -0.76 0 C4'-C3'-C2' 104.48 1.28 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.558 ' C8 ' ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 C5'-C4'-C3' 118.073 2.249 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.558 ' H72' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 P--O3' 1.619 0.976 0 O4'-C1'-C2' 107.112 0.92 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.456 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C3'-C2'-C1' 104.718 1.442 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.449 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C3'-C2'-C1' 104.915 1.582 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.449 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C5'-C4'-O4' 108.569 -0.519 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.425 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 C3'-C2'-C1' 104.699 1.428 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.518 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 105.363 1.902 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.685 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C3'-C2'-C1' 100.685 -1.439 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.551 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C5'-C4'-C3' 117.729 2.02 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.485 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.621 1.155 0 C5'-C4'-O4' 108.008 -0.87 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.501 ' N4 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 C3'-C2'-C1' 105.051 1.679 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.532 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C5'-C4'-C3' 115.914 0.809 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.532 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.05 0 C5'-C4'-O4' 107.977 -0.89 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.512 ' C6 ' ' N6 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C4'-C3'-C2' 102.045 -1.155 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.512 ' N6 ' ' C6 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 P--O3' 1.618 0.904 0 C5'-C4'-C3' 115.932 0.821 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.443 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C5'-C4'-O4' 108.594 -0.504 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.414 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C5'-C4'-C3' 116.216 1.011 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . 0.414 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 107.141 0.946 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 tmt? . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 109.804 -0.443 . . . . 6.94 109.804 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HE2' ' HB3' ' A' ' 2' ' ' LYS . 5.9 mtpt -111.58 126.39 28.66 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 110.111 -0.329 . . . . 5.85 110.111 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -63.98 164.15 23.04 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.641 1.561 . . . . 1.9 111.308 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.579 HG21 ' O ' ' A' ' 45' ' ' LEU . 59.0 t -112.53 123.19 67.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 109.247 -0.649 . . . . 0.99 109.247 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.638 HG21 ' OP1' ' D' ' 12' ' ' ' DG' . 3.7 p -91.34 166.7 12.77 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 113.433 0.901 . . . . 0.72 113.433 -177.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -66.8 -16.32 64.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.058 -1.428 . . . . 0.66 109.362 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -79.01 -38.76 35.84 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.386 -0.598 . . . . 0.68 109.386 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.7 -41.3 96.12 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 107.31 -1.367 . . . . 1.86 107.31 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 5' ' ' THR . 44.2 t -62.37 -46.09 97.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 112.549 -2.114 . . . . 0.66 109.634 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -62.98 -39.34 94.4 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.82 -0.627 . . . . 0.65 111.773 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -66.78 -49.09 67.02 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.635 -0.711 . . . . 2.41 110.394 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.502 ' HB3' HD11 ' A' ' 45' ' ' LEU . 39.1 t80 -68.67 -22.55 64.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 1.68 111.165 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -91.78 -16.99 26.03 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.643 -0.503 . . . . 0.71 109.643 -178.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.18 41.49 46.79 Favored Glycine 0 CA--C 1.5 -0.904 0 N-CA-C 110.319 -1.113 . . . . 0.68 110.319 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.476 HG22 ' HB3' ' A' ' 13' ' ' ALA . 34.0 m -137.69 -174.58 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 CA-C-N 114.582 -0.809 . . . . 0.62 109.003 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.1 m -89.53 171.33 9.78 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.72 -0.845 . . . . 1.03 108.72 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.404 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 49.3 p90 -74.71 -36.04 62.71 Favored 'General case' 0 C--N 1.311 -1.09 0 C-N-CA 119.198 -1.001 . . . . 1.38 109.459 -178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.632 ' HG2' ' N4 ' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -67.83 -25.65 65.66 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.165 -0.925 . . . . 2.08 110.747 176.429 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.6 m -64.56 -46.25 83.59 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.624 -0.88 . . . . 0.61 108.624 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 24' ' ' VAL . 92.8 t -57.81 -50.83 76.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.041 -1.436 . . . . 0.65 110.997 177.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.3 t -63.59 -28.77 70.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.534 -0.757 . . . . 1.22 110.487 -178.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -68.75 -31.84 71.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.726 -0.67 . . . . 2.65 109.285 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.6 t -82.72 -43.42 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 121.057 0.456 . . . . 0.92 110.536 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 20' ' ' VAL . 16.2 t -60.46 -50.07 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.563 -0.744 . . . . 0.94 111.403 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -76.91 -37.85 54.63 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.295 -0.866 . . . . 1.24 113.224 -178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 24.1 mt-30 -125.79 -104.77 0.34 Allowed 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.921 -0.399 . . . . 4.46 109.921 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 151.44 -35.37 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 124.978 1.424 . . . . 2.66 109.804 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.58 160.6 29.68 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.741 -1.118 . . . . 2.08 110.927 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.632 ' O ' ' H71' ' C' ' 4' ' ' ' DT' . 9.2 m-70 68.3 19.59 8.95 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.768 -0.651 . . . . 1.63 110.653 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.3 t -131.79 126.31 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.961 0 CA-C-N 115.592 -0.731 . . . . 1.05 109.613 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.4 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 56.5 m -59.73 136.73 58.09 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.346 -0.843 . . . . 1.29 109.745 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.465 ' HB1' ' OE2' ' A' ' 36' ' ' GLU . . . -54.31 -37.32 64.69 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.068 -0.515 . . . . 1.09 110.575 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -56.43 -43.8 79.79 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.659 -0.701 . . . . 3.08 111.136 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.517 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -86.12 -40.26 15.87 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 116.005 -0.543 . . . . 0.98 111.834 -178.412 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 17.4 ttm180 -55.07 -53.62 53.58 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.004 -0.544 . . . . 3.63 112.215 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.465 ' OE2' ' HB1' ' A' ' 32' ' ' ALA . 21.3 mt-10 -70.49 -17.86 62.97 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.471 -0.786 . . . . 1.72 110.459 -178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -84.45 -30.02 25.61 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.36 -0.607 . . . . 1.44 109.36 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.646 HG11 ' HA ' ' A' ' 20' ' ' VAL . 54.1 t -76.16 -43.47 37.67 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 N-CA-C 109.461 -0.57 . . . . 0.68 109.461 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 44.7 mt-10 -60.55 -31.9 70.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.971 -1.013 . . . . 1.7 109.212 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.512 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -70.7 -36.14 73.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.717 -1.129 . . . . 0.78 110.331 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.86 -34.7 79.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.874 -0.603 . . . . 0.79 110.462 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.429 ' HE3' HG12 ' A' ' 38' ' ' VAL . 40.3 mtt -61.79 -26.3 68.01 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.742 -0.663 . . . . 0.87 111.727 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.67 -34.96 21.19 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.27 0.557 . . . . 0.93 110.136 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 22.6 mm-40 -65.33 -58.6 5.5 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.784 -1.098 . . . . 1.55 111.86 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.579 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -81.47 -10.63 59.45 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 114.495 -1.229 . . . . 1.79 112.032 -178.311 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.483 ' O ' HD12 ' A' ' 48' ' ' ILE . 22.8 m-80 67.76 64.93 0.38 Allowed 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.515 0.674 . . . . 2.2 109.342 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.505 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 13.8 t80 -78.66 120.0 22.72 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 115.142 -0.936 . . . . 1.38 111.18 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 46' ' ' ASN . 2.5 mp -113.44 108.62 52.0 Favored Pre-proline 0 N--CA 1.44 -0.926 0 CA-C-N 115.227 -0.897 . . . . 1.39 108.675 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_exo -55.9 116.29 3.06 Favored 'Trans proline' 0 C--O 1.236 0.402 0 C-N-CA 122.553 2.168 . . . . 0.78 112.416 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -67.81 103.05 1.34 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 116.287 -0.415 . . . . 0.69 110.044 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.509 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 1.5 mpt_? -61.91 -31.08 71.35 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.237 -0.438 . . . . 4.2 111.558 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -35.46 71.07 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.635 -0.505 . . . . 0.7 109.635 -179.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' HB3' " C5'" ' D' ' 13' ' ' ' DC' . . . -71.19 -42.2 69.33 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.063 -0.717 . . . . 0.53 109.063 178.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -59.54 -39.56 84.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.404 -1.271 . . . . 1.67 109.248 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.406 ' HB3' ' OE1' ' A' ' 60' ' ' GLN . 20.2 mt-30 -69.48 -36.1 76.21 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.296 0.569 . . . . 2.66 109.812 178.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.7 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 7.1 tp -64.48 -47.2 79.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.434 -0.803 . . . . 0.61 110.534 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.42 -18.07 55.49 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.711 -0.677 . . . . 0.85 111.698 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -110.11 -124.63 4.79 Favored Glycine 0 N--CA 1.432 -1.594 0 C-N-CA 120.828 -0.701 . . . . 1.86 111.691 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HE3' ' HB3' ' A' ' 59' ' ' LYS . 28.5 mtpp -106.89 148.31 28.73 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.801 0.667 . . . . 6.17 112.801 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' OE1' ' HB3' ' A' ' 55' ' ' GLN . 23.6 mm-40 -111.58 143.65 42.1 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.591 -0.732 . . . . 6.76 110.079 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m 60.63 79.45 0.24 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 123.996 0.81 . . . . 7.52 112.345 178.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.2 mt . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.345 -0.836 . . . . 9.27 110.37 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ttp . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.319 -0.252 . . . . 6.54 110.319 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 19.1 tptt -120.22 94.8 48.91 Favored Pre-proline 0 N--CA 1.446 -0.627 0 N-CA-C 109.841 -0.429 . . . . 5.5 109.841 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -71.68 131.9 19.37 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.757 2.305 . . . . 1.75 110.473 178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.622 HG21 ' O ' ' B' ' 45' ' ' LEU . 65.0 t -79.27 154.67 4.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.912 -0.403 . . . . 0.83 109.912 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.849 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 16.7 p -134.87 164.08 28.38 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.786 -0.643 . . . . 0.68 111.436 -177.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.48 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 1.3 tt -59.9 -22.78 62.82 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.2 0.524 . . . . 0.66 111.368 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.62 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 18.2 m-85 -72.47 -40.73 66.75 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.243 -0.889 . . . . 1.22 110.466 179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -66.41 -36.43 82.81 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 115.703 -0.68 . . . . 1.45 109.638 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.563 ' HA ' HD23 ' B' ' 45' ' ' LEU . 53.6 t -65.23 -40.77 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 114.658 -1.156 . . . . 0.55 109.609 178.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.489 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -59.58 -53.4 58.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.546 -0.752 . . . . 0.63 110.889 178.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -57.72 -47.99 80.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.156 -0.929 . . . . 2.46 111.552 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.423 ' CB ' HD21 ' B' ' 45' ' ' LEU . 34.7 t80 -63.99 -49.76 71.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.09 -0.505 . . . . 1.39 111.851 -178.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.78 -19.98 65.86 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.325 0.491 . . . . 0.69 112.325 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.72 50.44 5.62 Favored Glycine 0 CA--C 1.505 -0.564 0 N-CA-C 110.668 -0.973 . . . . 1.09 110.668 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -145.26 168.95 7.96 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 N-CA-C 108.59 -0.893 . . . . 0.62 108.59 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.506 ' O ' ' HB ' ' B' ' 19' ' ' THR . 72.2 m -76.59 153.36 35.39 Favored 'General case' 0 N--CA 1.423 -1.79 0 N-CA-C 109.187 -0.672 . . . . 1.31 109.187 177.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.466 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -58.29 -43.11 87.9 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 121.281 -0.168 . . . . 1.58 110.686 -179.374 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.47 ' HG2' ' H71' ' C' ' 14' ' ' ' DT' . 0.0 OUTLIER -57.83 -34.45 69.7 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.231 0.538 . . . . 0.89 111.162 177.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.506 ' HB ' ' O ' ' B' ' 16' ' ' SER . 97.4 m -57.31 -40.94 78.91 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 121.749 0.785 . . . . 0.64 110.722 178.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.501 HG13 ' CG1' ' B' ' 38' ' ' VAL . 3.7 t -65.01 -46.29 91.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 114.208 -1.36 . . . . 1.17 110.72 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.43 ' CB ' ' H73' ' C' ' 14' ' ' ' DT' . 3.7 m -58.0 -49.19 77.68 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 122.088 0.947 . . . . 1.13 108.459 176.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -57.02 -38.11 72.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.304 -1.316 . . . . 2.87 111.824 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.633 HG13 ' HG3' ' B' ' 35' ' ' ARG . 24.7 t -75.49 -40.17 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-O 120.777 0.322 . . . . 0.86 110.624 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.29 -36.28 71.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 CA-C-N 116.037 -0.528 . . . . 1.03 110.56 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -86.09 -5.84 59.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.22 -0.445 . . . . 1.25 111.198 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 54.15 44.29 29.38 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.424 0.631 . . . . 3.75 109.934 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.88 179.62 6.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.31 -0.859 . . . . 2.36 110.952 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 0.8 OUTLIER -79.36 167.8 20.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.739 . . . . 1.96 110.834 178.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' B' ' 28' ' ' SER . 62.5 m170 67.95 33.72 4.52 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.658 0.742 . . . . 1.34 110.002 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -125.47 110.17 23.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.582 -0.735 . . . . 1.1 110.872 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.543 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 64.4 m -61.43 151.85 31.43 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.805 -0.634 . . . . 0.98 109.815 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.13 -51.34 58.85 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 111.918 0.34 . . . . 1.12 111.918 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.675 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 56.2 mtmt -53.4 -57.97 8.76 Favored 'General case' 0 C--O 1.224 -0.283 0 O-C-N 123.496 0.497 . . . . 3.25 111.115 -179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -52.97 -34.93 58.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.865 -0.607 . . . . 0.77 111.553 179.823 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.633 ' HG3' HG13 ' B' ' 23' ' ' VAL . 11.3 ttm180 -65.27 -42.95 92.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 121.219 0.533 . . . . 3.59 110.329 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -67.03 -41.56 86.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.887 -1.051 . . . . 1.96 111.247 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.675 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 25.3 mtpp -60.39 -39.45 87.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.677 -0.692 . . . . 1.91 111.044 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 34' ' ' THR . 94.4 t -69.46 -39.92 79.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-N 115.758 -0.656 . . . . 0.62 110.991 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -71.78 -32.26 67.47 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.289 0.566 . . . . 1.68 109.777 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -45.0 76.85 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.605 -0.725 . . . . 0.77 109.585 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.29 -28.86 60.12 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.585 -0.734 . . . . 0.65 112.024 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 42.4 mtt -63.66 -20.72 65.92 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.466 -0.788 . . . . 0.71 109.776 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.17 -49.43 7.75 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.817 -0.629 . . . . 0.9 110.656 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -59.63 -42.02 91.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.75 0.786 . . . . 1.58 111.066 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.622 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -78.19 -19.25 54.26 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.786 -1.097 . . . . 1.14 111.293 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 64.25 43.32 4.9 Favored 'General case' 0 C--N 1.34 0.183 0 N-CA-C 107.052 -1.462 . . . . 1.24 107.052 -175.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.612 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 t80 -56.94 123.38 14.93 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.759 -1.109 . . . . 1.46 111.632 -179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mt -135.55 98.98 11.95 Favored Pre-proline 0 N--CA 1.435 -1.193 0 N-CA-C 104.001 -2.592 . . . . 1.34 104.001 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.623 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.7 OUTLIER -30.0 128.86 0.06 OUTLIER 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 125.19 3.927 . . . . 0.72 115.409 -176.357 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.412 HD22 " C5'" ' C' ' 12' ' ' ' DG' . 35.6 t-20 -63.65 87.35 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 114.387 -1.279 . . . . 0.85 111.325 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.637 ' HG2' ' OE1' ' B' ' 60' ' ' GLN . 0.0 OUTLIER -47.38 -29.23 2.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.905 0.882 . . . . 4.55 112.739 -179.497 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 66.9 m -75.42 -60.78 2.15 Favored 'General case' 0 C--N 1.311 -1.092 0 C-N-CA 120.418 -0.513 . . . . 0.73 112.1 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.19 -34.57 63.79 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.774 -0.648 . . . . 0.64 112.135 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.623 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 11.0 mt-30 -66.5 -30.79 71.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.426 -0.352 . . . . 1.04 110.536 -179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.606 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -82.29 -20.41 37.54 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 109.083 -0.71 . . . . 2.45 109.083 179.036 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.575 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.7 tp -81.97 -46.47 13.96 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.301 -0.863 . . . . 0.65 109.943 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.16 -0.06 8.88 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.903 0.881 . . . . 1.07 112.772 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.19 -79.74 0.12 Allowed Glycine 0 CA--C 1.505 -0.539 0 C-N-CA 120.376 -0.916 . . . . 1.6 112.499 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' B' ' 60' ' ' GLN . 3.2 ttpm? -170.68 149.09 3.09 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 109.995 -0.372 . . . . 5.04 109.995 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.637 ' OE1' ' HG2' ' B' ' 51' ' ' ARG . 1.1 tm0? -161.51 122.76 2.81 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 123.602 0.564 . . . . 6.57 109.955 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.28 28.53 8.69 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.588 -0.445 . . . . 6.55 111.133 -179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.409 -0.805 . . . . 8.33 110.49 -179.899 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . 0.429 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.499 -1.561 0 C3'-C2'-C1' 99.299 -2.43 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.429 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.503 -1.288 0 C3'-C2'-C1' 99.264 -2.454 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.466 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-C2' 103.827 -2.067 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.56 ' H72' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 C2'--C1' 1.509 -0.891 0 O4'-C1'-C2' 103.832 -2.062 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.632 ' H71' ' O ' ' A' ' 29' ' ' HIS . . . . . . . . 0 C2'--C1' 1.507 -0.991 0 C3'-C2'-C1' 99.559 -2.244 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.479 ' C2 ' ' C2 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.065 0 O4'-C1'-C2' 103.996 -1.913 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.518 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.51 -0.815 0 C3'-C2'-C1' 99.683 -2.155 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . 0.417 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.511 -0.721 0 C3'-C2'-C1' 99.262 -2.456 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.417 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 99.156 -2.531 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.547 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.598 -0.738 0 C3'-C2'-C1' 98.808 -2.78 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.547 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.837 0 O4'-C1'-C2' 103.963 -1.943 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.7 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.493 -2.013 0 C3'-C2'-C1' 98.032 -3.335 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.849 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.497 -1.728 0 C3'-C2'-C1' 99.849 -2.037 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.48 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -0.991 0 C5'-C4'-C3' 118.602 2.601 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.47 ' H71' ' HG2' ' B' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.509 -0.85 0 C3'-C2'-C1' 100.043 -1.898 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.963 0 C5'-C4'-C3' 117.61 1.94 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.469 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.227 0 C3'-C2'-C1' 99.981 -1.942 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.469 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.99 0 C3'-C2'-C1' 99.669 -2.165 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.516 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.503 -1.284 0 C3'-C2'-C1' 99.783 -2.084 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.462 " H1'" " H5'" ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.805 0 C3'-C2'-C1' 99.83 -2.05 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.462 " H5'" " H1'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.819 0 C3'-C2'-C1' 99.669 -2.165 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 C3'-C2'-C1' 99.327 -2.409 . . . . 1.84 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.201 0 C3'-C2'-C1' 99.285 -2.439 . . . . 2.17 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.131 0 O5'-P-OP1 106.137 -0.677 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-C2' 102.119 -1.081 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.516 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C1'-C2' 107.443 1.221 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.516 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 P--O3' 1.614 0.546 0 C3'-C2'-C1' 104.29 1.135 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.541 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.526 0.751 0 C3'-C2'-C1' 105.264 1.832 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.651 " H2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C4'-C3'-C2' 104.312 1.112 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.651 ' H71' " H2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 107.461 1.238 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.49 " H5'" H2'' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 107.487 1.261 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.509 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.63 0 O4'-C1'-C2' 107.216 1.015 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.509 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.41 -0.763 0 O4'-C4'-C3' 106.663 1.063 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.422 ' C6 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 O4'-C1'-C2' 107.317 1.106 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.433 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.974 1.704 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.638 ' OP1' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.511 -0.713 0 C5'-C4'-C3' 115.48 0.52 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.513 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.422 -1.153 0 C3'-C2'-C1' 104.753 1.466 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.42 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C5'-C4'-O4' 107.528 -1.17 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.632 ' N4 ' ' HG2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 C3'-C2'-C1' 105.092 1.709 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.457 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.687 0 C5'-C4'-C3' 115.77 0.713 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.457 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.433 -0.434 0 C3'-C2'-C1' 104.035 0.954 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.479 ' C2 ' ' C2 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 P--O3' 1.616 0.781 0 O4'-C1'-N19 108.496 0.87 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.521 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 N19-C1'-C2' 112.849 -0.845 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.521 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 P--O3' 1.597 -0.861 0 C1'-O4'-C4' 110.918 0.87 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.518 " H5'" " H1'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 N19-C1'-C2' 115.838 1.024 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 C4'-C3'-C2' 101.96 -1.24 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mmm . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 109.819 -0.437 . . . . 6.94 109.819 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.51 148.41 93.9 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 110.034 -0.358 . . . . 5.85 110.034 179.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.21 129.6 13.25 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.874 2.383 . . . . 1.9 112.911 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.57 HG12 ' H ' ' A' ' 5' ' ' THR . 16.8 t -112.98 175.03 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 N-CA-C 107.728 -1.212 . . . . 0.99 107.728 178.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.57 ' H ' HG12 ' A' ' 4' ' ' VAL . 25.4 p -131.98 159.15 39.57 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 108.753 -0.832 . . . . 0.72 108.753 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -63.35 -19.66 64.83 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 121.712 -0.617 . . . . 0.66 110.364 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -72.29 -42.41 65.54 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.925 -0.58 . . . . 0.68 109.451 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -57.84 -32.37 67.55 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-O 122.727 1.251 . . . . 1.86 108.564 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 5' ' ' THR . 42.1 t -75.63 -44.1 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.673 0 CA-C-N 113.272 -1.786 . . . . 0.66 109.336 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.488 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -63.93 -45.41 89.34 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.572 -0.74 . . . . 0.65 111.946 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -61.17 -54.73 40.73 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.469 0.652 . . . . 2.41 110.815 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -62.13 -28.55 69.71 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.638 -0.71 . . . . 1.68 112.389 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.635 ' O ' ' HD3' ' A' ' 37' ' ' LYS . . . -83.13 -27.5 30.08 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 121.788 -0.57 . . . . 0.71 111.474 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.23 34.31 7.19 Favored Glycine 0 N--CA 1.431 -1.678 0 N-CA-C 109.725 -1.35 . . . . 0.68 109.725 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 18.2 m -137.97 -179.41 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 CA-C-O 121.357 0.599 . . . . 0.62 111.221 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -90.24 147.6 23.43 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.268 -0.878 . . . . 1.03 108.963 176.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.488 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 34.2 p90 -49.96 -42.64 49.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.327 0.584 . . . . 1.38 111.023 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.653 ' HB2' ' H71' ' C' ' 6' ' ' ' DT' . 0.0 OUTLIER -60.39 -29.49 68.99 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.267 0.556 . . . . 2.08 111.037 178.379 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.3 m -66.03 -45.39 81.61 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.828 0.823 . . . . 0.61 109.669 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 24' ' ' VAL . 89.0 t -57.24 -44.94 84.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 114.043 -1.435 . . . . 0.65 110.444 177.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 47.0 t -67.32 -27.67 67.35 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.781 -0.645 . . . . 1.22 110.919 -178.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.9 mtt-85 -73.73 -28.51 61.74 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.31 -0.556 . . . . 2.65 110.097 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.3 t -83.37 -43.97 18.4 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 120.865 0.364 . . . . 0.92 110.078 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 20' ' ' VAL . 55.4 t -64.5 -48.26 85.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.335 0.588 . . . . 0.94 110.832 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 21' ' ' SER . 35.8 m-20 -75.24 -38.94 60.34 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.024 0.75 . . . . 1.24 113.024 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.529 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -149.95 -109.88 0.07 Allowed 'General case' 0 C--O 1.235 0.326 0 O-C-N 121.86 -0.525 . . . . 4.46 109.665 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 166.53 -21.85 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.4 0.619 . . . . 2.66 111.379 -178.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 0.4 OUTLIER -65.53 150.5 48.29 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.848 -0.615 . . . . 2.08 110.695 -178.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 28' ' ' SER . 4.1 m-70 70.0 23.18 5.5 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.707 0.765 . . . . 1.63 109.359 -178.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.427 ' HB ' ' O ' ' A' ' 27' ' ' ALA . 48.5 t -141.22 132.85 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 CA-C-N 114.681 -1.145 . . . . 1.05 108.103 178.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.65 155.32 40.69 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.014 -1.106 . . . . 1.29 108.014 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.8 -7.81 47.9 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 113.234 0.827 . . . . 1.09 113.234 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 34' ' ' THR . 0.4 OUTLIER -84.95 -43.91 13.6 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.453 -0.943 . . . . 3.08 108.453 -175.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -70.53 -22.59 62.6 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.714 -1.13 . . . . 0.98 112.3 179.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -62.05 2.15 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 122.22 -0.3 . . . . 3.63 111.455 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.14 -26.72 64.98 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.018 0.748 . . . . 1.72 113.018 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.635 ' HD3' ' O ' ' A' ' 13' ' ' ALA . 8.4 ptpt -77.36 -26.92 52.41 Favored 'General case' 0 CA--C 1.512 -0.494 0 C-N-CA 119.103 -1.039 . . . . 1.44 109.538 -178.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.564 HG11 ' HA ' ' A' ' 20' ' ' VAL . 55.0 t -79.07 -37.51 19.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 114.803 -1.089 . . . . 0.68 108.177 178.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -78.89 -2.3 39.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.251 -1.018 . . . . 1.7 108.251 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.658 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -91.31 -50.29 5.9 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 106.385 -1.709 . . . . 0.78 106.385 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.25 82.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 113.657 -1.61 . . . . 0.79 113.479 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.523 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 1.7 ptp -76.0 -19.8 58.38 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.14 -0.624 . . . . 0.87 110.272 -178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.3 -17.77 31.7 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.182 -0.917 . . . . 0.93 110.737 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.658 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 56.5 mm-40 -91.64 -55.64 3.41 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 123.526 1.632 . . . . 1.55 110.147 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.2 mt -80.26 -1.3 40.18 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 111.74 -2.482 . . . . 1.79 112.437 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.1 m120 56.85 59.44 3.5 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 121.6 0.714 . . . . 2.2 110.056 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 7.8 t80 -76.88 122.89 25.48 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.997 -1.001 . . . . 1.38 109.248 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.85 109.53 61.11 Favored Pre-proline 0 N--CA 1.444 -0.74 0 N-CA-C 108.592 -0.892 . . . . 1.39 108.592 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -46.95 123.27 7.15 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.044 2.496 . . . . 0.78 110.962 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.611 ' O ' ' HB3' ' A' ' 54' ' ' GLN . 6.1 m-20 -74.23 113.9 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.506 0.669 . . . . 0.69 110.222 -178.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -79.14 -20.25 49.04 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.168 -0.924 . . . . 4.2 111.175 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.14 -56.18 4.68 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 110.4 -0.222 . . . . 0.7 110.4 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.746 ' HB3' " H5'" ' D' ' 13' ' ' ' DC' . . . -58.81 -46.13 88.35 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 109.6 -0.519 . . . . 0.53 109.6 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.611 ' HB3' ' O ' ' A' ' 50' ' ' ASN . 0.0 OUTLIER -47.96 -39.36 19.14 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 114.753 -1.112 . . . . 1.67 111.049 177.035 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.435 ' HB3' ' NE2' ' A' ' 60' ' ' GLN . 26.9 mm-40 -82.32 -18.62 41.6 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.349 -0.387 . . . . 2.66 110.854 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.641 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 10.8 tp -76.17 -52.61 9.72 Favored 'General case' 0 CA--C 1.505 -0.773 0 N-CA-C 108.878 -0.786 . . . . 0.61 108.878 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.36 -56.04 24.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.842 -1.072 . . . . 0.85 111.203 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.79 134.53 43.97 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 118.949 -1.596 . . . . 1.86 111.065 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -70.6 90.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 117.082 0.441 . . . . 6.17 111.175 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.435 ' NE2' ' HB3' ' A' ' 55' ' ' GLN . 10.4 pt20 -88.07 -23.52 23.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.935 -0.575 . . . . 6.76 110.538 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 39.1 m 68.15 154.32 0.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.345 -0.843 . . . . 7.52 111.794 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.544 -0.741 . . . . 9.27 109.775 -178.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.1 tpp . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.784 0.325 . . . . 6.54 111.126 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 20.5 tttt -90.26 114.11 59.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.719 -0.673 . . . . 5.5 109.781 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.411 ' HA ' ' HB ' ' B' ' 48' ' ' ILE . 63.4 Cg_endo -75.82 127.55 10.21 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.255 1.303 . . . . 1.75 111.694 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.671 ' HB ' ' H ' ' B' ' 48' ' ' ILE . 74.1 t -67.24 137.26 25.12 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 121.597 0.713 . . . . 0.83 109.738 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.851 HG22 ' HB2' ' B' ' 50' ' ' ASN . 66.7 p -124.56 160.22 28.88 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.748 -0.66 . . . . 0.68 110.562 -177.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.466 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.5 OUTLIER -50.61 -15.72 0.3 Allowed 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 113.626 0.973 . . . . 0.66 113.626 177.027 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.495 ' CE2' " H2'" ' C' ' 12' ' ' ' DG' . 40.8 m-85 -85.81 -20.36 29.3 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 120.497 -0.481 . . . . 1.22 109.797 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -39.9 15.47 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 107.529 -1.286 . . . . 1.45 107.529 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.539 ' HA ' HD23 ' B' ' 45' ' ' LEU . 8.6 t -61.62 -48.72 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.005 -0.998 . . . . 0.55 111.0 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.654 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.41 -64.35 0.89 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 122.059 0.933 . . . . 0.63 110.416 178.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -49.11 -34.08 13.24 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 113.432 -1.713 . . . . 2.46 112.906 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.453 ' CB ' HD21 ' B' ' 45' ' ' LEU . 27.1 t80 -78.09 -44.17 26.97 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 116.152 -0.476 . . . . 1.39 112.029 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -81.86 -22.17 37.11 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 112.648 0.61 . . . . 0.69 112.648 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.59 23.36 31.23 Favored Glycine 0 C--N 1.32 -0.312 0 C-N-CA 119.488 -1.339 . . . . 1.09 112.493 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.723 HG21 HG22 ' B' ' 38' ' ' VAL . 6.3 m -110.54 158.63 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 N-CA-C 109.015 -0.735 . . . . 0.62 109.015 178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.609 ' O ' HG23 ' B' ' 20' ' ' VAL . 5.4 m -70.1 168.02 16.47 Favored 'General case' 0 N--CA 1.435 -1.196 0 C-N-CA 119.809 -0.756 . . . . 1.31 112.067 -179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.468 ' OH ' ' N7 ' ' C' ' 13' ' ' ' DA' . 2.2 t80 -63.55 -45.18 91.68 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.081 -1.418 . . . . 1.58 110.249 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -69.4 -34.12 74.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.277 -0.268 . . . . 0.89 110.277 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.466 ' OG1' ' HB2' ' B' ' 16' ' ' SER . 6.3 m -57.01 -28.18 62.25 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.696 0.623 . . . . 0.64 111.996 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.654 HG21 ' HB2' ' B' ' 10' ' ' ALA . 7.4 t -82.57 -40.13 16.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.832 -0.622 . . . . 1.17 109.495 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.527 ' CB ' ' H73' ' C' ' 14' ' ' ' DT' . 17.9 m -66.86 -31.73 72.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.682 -0.69 . . . . 1.13 111.29 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -78.6 -18.63 54.27 Favored 'General case' 0 C--O 1.223 -0.3 0 O-C-N 121.394 -0.816 . . . . 2.87 111.438 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.419 HG21 HG21 ' B' ' 38' ' ' VAL . 3.1 t -75.09 -37.58 40.7 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.274 -1.01 . . . . 0.86 108.274 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -75.8 -39.27 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 CA-C-N 114.411 -1.268 . . . . 1.03 110.107 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.412 HD21 ' P ' ' C' ' 14' ' ' ' DT' . 5.9 m-80 -73.02 -9.33 58.61 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.998 -0.546 . . . . 1.25 112.081 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 60.07 31.35 20.56 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 123.462 0.705 . . . . 3.75 111.311 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.47 175.55 10.21 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 122.229 1.014 . . . . 2.36 111.796 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.61 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 53.8 m -100.7 178.92 4.57 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 113.436 -1.711 . . . . 1.96 107.925 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.61 ' HB2' ' O ' ' B' ' 28' ' ' SER . 23.9 m170 89.37 -1.97 0.36 Allowed 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 123.332 0.653 . . . . 1.34 110.164 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 92.6 t -136.79 103.35 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 N-CA-C 108.161 -1.051 . . . . 1.1 108.161 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -45.19 166.03 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 115.254 1.576 . . . . 0.98 115.254 -178.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' B' ' 36' ' ' GLU . . . -67.22 -37.43 83.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.324 -1.307 . . . . 1.12 111.461 -177.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' B' ' 37' ' ' LYS . 28.4 ttpt -55.09 -60.45 3.36 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.532 0.682 . . . . 3.25 110.304 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.417 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.1 OUTLIER -56.91 -23.25 43.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.138 -0.937 . . . . 0.77 112.089 178.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -76.09 -40.31 53.34 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.522 0.677 . . . . 3.59 109.529 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 32' ' ' ALA . 20.7 mt-10 -69.13 -32.3 71.58 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.752 -1.113 . . . . 1.96 109.775 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' B' ' 33' ' ' LYS . 11.3 mmpt? -62.92 -37.53 87.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.598 -1.183 . . . . 1.91 109.572 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.723 HG22 HG21 ' B' ' 15' ' ' VAL . 93.7 t -75.36 -39.16 41.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.948 -0.569 . . . . 0.62 110.309 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' B' ' 42' ' ' MET . 41.6 mt-10 -62.83 -34.59 77.64 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.63 0.729 . . . . 1.68 110.037 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -47.6 81.18 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.872 -1.058 . . . . 0.77 109.698 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -59.83 -32.26 70.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 114.819 -1.082 . . . . 0.65 109.983 178.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 48.0 mtt -62.59 -21.94 66.0 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.09 -0.959 . . . . 0.71 108.991 179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.31 -47.45 8.03 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.9 110.357 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -54.84 -55.03 34.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 122.259 1.028 . . . . 1.58 110.054 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.654 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.3 OUTLIER -76.26 -18.29 59.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.501 -1.227 . . . . 1.14 110.43 178.77 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 53.81 71.04 0.54 Allowed 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 106.253 -1.758 . . . . 1.24 106.253 -176.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.433 ' HD1' ' N ' ' B' ' 48' ' ' ILE . 0.1 OUTLIER -35.98 128.72 0.68 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 112.834 -1.984 . . . . 1.46 115.192 -176.06 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.671 ' H ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 mm -131.54 74.86 77.73 Favored Pre-proline 0 C--N 1.307 -1.25 0 CA-C-N 110.865 -2.879 . . . . 1.34 109.444 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' B' ' 51' ' ' ARG . 72.4 Cg_exo -37.54 125.15 0.6 Allowed 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 123.913 3.076 . . . . 0.72 111.995 -177.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.851 ' HB2' HG22 ' B' ' 5' ' ' THR . 34.8 t-20 -66.8 76.49 0.12 Allowed 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.404 -0.591 . . . . 0.85 109.404 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' B' ' 49' ' ' PRO . 13.4 mtt85 -43.7 -28.07 0.38 Allowed 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.915 1.45 . . . . 4.55 114.915 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' B' ' 56' ' ' LEU . 71.1 m -71.26 -56.39 6.14 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.909 -0.404 . . . . 0.73 109.909 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.96 -34.44 59.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.24 0.543 . . . . 0.64 111.258 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -60.32 -35.6 75.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.036 -0.984 . . . . 1.04 112.276 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -92.49 -21.81 19.94 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.474 -0.935 . . . . 2.45 108.474 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.0 OUTLIER -70.34 -43.58 69.95 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.436 -0.802 . . . . 0.65 110.479 178.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.471 ' HB2' ' H21' ' C' ' 12' ' ' ' DG' . . . -66.67 -68.93 0.34 Allowed 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 106.847 -1.538 . . . . 1.07 106.847 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.78 31.82 0.02 OUTLIER Glycine 0 C--O 1.239 0.406 0 C-N-CA 118.824 -1.655 . . . . 1.6 111.48 173.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp 58.7 -163.3 0.22 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.137 -0.531 . . . . 5.04 110.761 -178.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -77.63 139.57 39.5 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.347 -0.388 . . . . 6.57 111.283 -179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 15.8 m -82.98 98.46 9.26 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.236 0.541 . . . . 6.55 110.486 179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 20.8 tp . . . . . 0 C--O 1.249 1.032 0 CA-C-O 117.913 -1.042 . . . . 8.33 109.583 179.858 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.5 -1.494 0 C3'-C2'-C1' 99.222 -2.484 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 C3'-C2'-C1' 99.607 -2.209 . . . . 2.25 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 103.758 -2.129 . . . . 1.55 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.448 ' C6 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.809 0 O4'-C1'-C2' 103.923 -1.979 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.462 ' C2 ' ' C5 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.854 0 C3'-C2'-C1' 99.372 -2.377 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.462 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.1 0 O4'-C1'-C2' 104.002 -1.907 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.653 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.507 -0.969 0 C3'-C2'-C1' 99.116 -2.56 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.264 0 C3'-C2'-C1' 99.226 -2.482 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.456 0.931 0 C3'-C2'-C1' 99.502 -2.285 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.436 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.597 -0.805 0 C3'-C2'-C1' 98.674 -2.876 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.436 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-C2' 103.73 -2.154 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.641 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.499 -1.598 0 C3'-C2'-C1' 99.696 -2.146 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.511 H2'' ' C8 ' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.496 -1.791 0 O4'-C1'-C2' 104.146 -1.777 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.511 ' C8 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.098 0 C3'-C2'-C1' 99.688 -2.151 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.527 ' H73' ' CB ' ' B' ' 21' ' ' SER . . . . . . . . 0 P--O3' 1.591 -1.369 0 C3'-C2'-C1' 99.847 -2.038 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.256 0 C3'-C2'-C1' 99.837 -2.045 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.494 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.069 0 O4'-C1'-C2' 104.072 -1.843 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.494 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.766 0 O4'-C1'-C2' 104.115 -1.804 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.096 0 C3'-C2'-C1' 100.028 -1.908 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 O4'-C1'-C2' 103.902 -1.999 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.417 ' C6 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C3'-C2'-C1' 100.026 -1.91 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.464 ' C6 ' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.992 0 C3'-C2'-C1' 99.606 -2.21 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.464 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.957 0 C3'-C2'-C1' 98.936 -2.688 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . 0.402 H2'' ' OP2' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 C3'-C2'-C1' 101.002 -1.213 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.477 " H1'" " H5'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.432 -0.53 0 C4'-C3'-C2' 101.898 -1.302 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.477 " H5'" " H1'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.521 -0.653 0 O4'-C1'-C2' 107.117 0.925 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.426 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C3'-C2'-C1' 103.927 0.876 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.415 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.529 1.077 0 C1'-O4'-C4' 107.728 -1.409 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.686 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.037 0 C5'-C4'-C3' 116.945 1.496 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.686 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.033 0 C5'-C4'-C3' 117.116 1.61 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.489 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.917 0 C3'-C2'-C1' 104.17 1.05 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.433 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 P--O3' 1.616 0.751 0 O4'-C1'-C2' 107.446 1.224 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.496 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.533 0.478 0 C5'-C4'-O4' 108.201 -0.75 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.496 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 N19-C1'-C2' 115.976 1.11 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 107.885 1.623 . . . . 1.5 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.489 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 P--O3' 1.615 0.681 0 C3'-C2'-C1' 101.039 -1.187 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.746 " H5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C3'-C2'-C1' 104.82 1.514 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.557 0 C5'-C4'-C3' 117.017 1.545 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.521 " H1'" " H5'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.864 0 O4'-C1'-C2' 107.584 1.349 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.521 " H5'" " H1'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C4'-C3'-C2' 102.236 -0.964 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.515 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C5'-C4'-C3' 116.527 1.218 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.511 ' C4 ' ' N7 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 1.014 0 O4'-C1'-C2' 107.027 0.842 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.511 ' N7 ' ' C4 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.515 -0.431 0 O4'-C1'-N19 108.372 0.715 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C5'-C4'-O4' 107.931 -0.918 . . . . 1.43 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.478 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C4'-C3'-C2' 104.776 1.576 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . 0.478 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.423 -0.635 0 N19-C1'-C2' 115.356 0.723 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 mmt . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 109.796 -0.446 . . . . 6.94 109.796 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -80.99 112.47 32.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.429 -0.582 . . . . 5.85 109.429 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.54 127.72 12.0 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.645 2.23 . . . . 1.9 112.314 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.57 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 83.7 t -125.94 129.62 72.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.008 -1.108 . . . . 0.99 108.008 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.61 ' O ' HG23 ' A' ' 9' ' ' VAL . 3.1 p -91.21 169.95 10.41 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 113.316 0.858 . . . . 0.72 113.316 -178.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' CD1' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -65.1 -18.38 65.25 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 114.041 -1.436 . . . . 0.66 109.363 178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -78.24 -40.62 36.73 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.677 -0.692 . . . . 0.68 110.859 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -61.7 -41.2 97.28 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.699 1.238 . . . . 1.86 107.88 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 5' ' ' THR . 23.1 t -62.49 -44.26 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 112.649 -2.069 . . . . 0.66 110.799 178.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.49 -34.04 76.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.185 -0.916 . . . . 0.65 111.223 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -70.08 -49.65 48.91 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.284 -0.416 . . . . 2.41 110.646 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -67.79 -25.23 65.49 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.253 0.549 . . . . 1.68 111.803 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.531 ' HB1' HG22 ' A' ' 38' ' ' VAL . . . -90.4 -17.78 26.63 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 115.668 -0.696 . . . . 0.71 109.974 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.65 44.31 40.18 Favored Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 110.519 -1.033 . . . . 0.68 110.519 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 13' ' ' ALA . 34.6 m -136.76 -166.87 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 CA-C-N 114.804 -0.698 . . . . 0.62 110.268 -177.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.6 p -99.71 170.78 8.33 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.623 -1.251 . . . . 1.03 107.623 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.413 ' HB2' ' CD1' ' A' ' 6' ' ' LEU . 35.5 p90 -73.42 -32.68 64.55 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 118.211 -1.396 . . . . 1.38 108.615 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -62.4 -33.36 74.61 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.667 -0.697 . . . . 2.08 110.189 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -62.47 -46.01 90.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.644 -0.873 . . . . 0.61 108.644 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 24' ' ' VAL . 55.9 t -59.55 -52.71 57.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.705 -1.134 . . . . 0.65 110.028 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.7 t -62.33 -25.68 68.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.752 -0.658 . . . . 1.22 111.635 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.42 ' HG2' HG22 ' A' ' 30' ' ' VAL . 23.2 tpp180 -73.05 -30.33 63.65 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.626 -0.509 . . . . 2.65 109.626 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.461 HG13 ' HG3' ' A' ' 35' ' ' ARG . 92.6 t -84.06 -44.26 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-O 121.465 0.65 . . . . 0.92 111.284 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 20' ' ' VAL . 24.9 t -62.67 -49.41 83.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.241 -0.89 . . . . 0.94 112.535 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -87.41 -18.5 29.83 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 113.46 0.911 . . . . 1.24 113.46 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.525 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 20.3 mt-30 -135.85 -106.36 0.21 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 119.158 -0.449 . . . . 4.46 110.855 -178.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 151.83 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.348 0.519 0 C-N-CA 124.691 1.197 . . . . 2.66 109.842 -178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 46.6 t -77.91 160.91 27.95 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.452 -0.794 . . . . 2.08 110.599 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.592 ' O ' ' H71' ' C' ' 4' ' ' ' DT' . 56.7 m170 72.21 21.9 3.75 Favored 'General case' 0 C--N 1.34 0.154 0 O-C-N 123.895 0.747 . . . . 1.63 111.372 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.42 HG22 ' HG2' ' A' ' 22' ' ' ARG . 0.1 OUTLIER -139.26 137.14 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 N-CA-C 109.053 -0.721 . . . . 1.05 109.053 178.551 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.616 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 63.8 m -64.13 132.88 51.76 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.995 -1.002 . . . . 1.29 109.742 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.94 -34.79 65.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.477 0.656 . . . . 1.09 109.979 179.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -59.38 -40.76 87.57 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.092 -0.958 . . . . 3.08 110.685 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.616 ' OG1' ' HB2' ' A' ' 31' ' ' SER . 0.0 OUTLIER -88.8 -41.54 12.44 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.583 0.586 . . . . 0.98 112.583 -179.41 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.531 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 45.7 ttp180 -50.11 -49.99 49.93 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.128 0.489 . . . . 3.63 111.58 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 39.0 mt-10 -71.51 -16.99 62.36 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.135 -0.939 . . . . 1.72 111.349 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -89.51 -28.75 19.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.956 -0.566 . . . . 1.44 110.279 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.531 HG22 ' HB1' ' A' ' 13' ' ' ALA . 89.7 t -78.42 -44.54 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 N-CA-C 108.746 -0.835 . . . . 0.68 108.746 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 38.3 mt-10 -59.27 -29.9 67.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.867 -1.06 . . . . 1.7 108.498 178.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -73.14 -33.14 65.33 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 114.689 -1.141 . . . . 0.78 110.46 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.46 96.14 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 121.544 0.688 . . . . 0.79 109.504 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.425 ' HE3' HG12 ' A' ' 38' ' ' VAL . 44.7 mtt -58.03 -27.92 64.0 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 114.962 -1.017 . . . . 0.87 112.248 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.4 -26.4 26.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.296 0.569 . . . . 0.93 110.79 -177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 21.4 mm-40 -72.75 -56.71 4.86 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.086 -0.961 . . . . 1.55 110.801 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.543 ' O ' HG21 ' A' ' 4' ' ' VAL . 1.3 mt -80.8 -18.69 46.73 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 113.48 -1.691 . . . . 1.79 111.447 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.72 66.41 0.15 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.58 0.705 . . . . 2.2 110.132 -178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.57 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.1 t80 -81.04 118.4 22.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.254 -0.884 . . . . 1.38 111.19 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.7 110.36 64.11 Favored Pre-proline 0 N--CA 1.438 -1.075 0 N-CA-C 108.831 -0.803 . . . . 1.39 108.831 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -55.26 107.16 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.71 2.274 . . . . 0.78 110.663 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.405 ' HB2' H5'' ' D' ' 13' ' ' ' DC' . 32.8 m-80 -67.71 100.4 0.91 Allowed 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.373 0.606 . . . . 0.69 111.534 -177.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -69.27 -19.64 63.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.435 -0.802 . . . . 4.2 110.818 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 1.3 m -74.09 -35.96 64.23 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.418 -0.956 . . . . 0.7 108.418 178.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB3' " C5'" ' D' ' 13' ' ' ' DC' . . . -72.45 -39.27 67.91 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.119 -0.946 . . . . 0.53 110.095 178.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.417 ' HG3' H5'' ' D' ' 14' ' ' ' DT' . 32.1 tt0 -64.62 -42.25 95.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.782 -0.644 . . . . 1.67 110.057 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 52' ' ' CYS . 2.9 pt20 -62.56 -30.13 71.09 Favored 'General case' 0 CA--C 1.522 -0.134 0 N-CA-C 108.971 -0.751 . . . . 2.66 108.971 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.763 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 7.0 tp -71.25 -46.74 60.32 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.207 -0.906 . . . . 0.61 110.83 179.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.32 -13.71 60.13 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.016 -0.538 . . . . 0.85 112.307 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.528 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . 145.93 97.46 0.21 Allowed Glycine 0 N--CA 1.441 -0.978 0 N-CA-C 110.75 -0.94 . . . . 1.86 110.75 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -67.02 92.03 0.23 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.7 0.762 . . . . 6.17 111.143 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.528 ' HG3' ' O ' ' A' ' 58' ' ' GLY . 38.5 mt-30 -102.3 3.55 38.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.53 -1.214 . . . . 6.76 109.965 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m 57.56 78.81 0.22 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 114.814 -1.084 . . . . 7.52 112.063 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HB3' HE22 ' A' ' 54' ' ' GLN . 5.4 tp . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.641 -0.695 . . . . 9.27 110.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtm . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.937 0.399 . . . . 6.54 110.782 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 0.0 OUTLIER -127.26 116.5 21.62 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-O 121.235 0.54 . . . . 5.5 110.084 -179.536 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' B' ' 2' ' ' LYS . 11.0 Cg_exo -66.44 121.15 8.37 Favored 'Trans proline' 0 C--N 1.331 -0.346 0 C-N-CA 122.792 2.328 . . . . 1.75 111.801 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.696 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 90.4 t -119.94 139.53 46.95 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.912 0 CA-C-N 116.136 -0.484 . . . . 0.83 109.939 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.77 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 17.7 p -93.4 165.26 12.86 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 113.083 0.772 . . . . 0.68 113.083 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.598 ' HG ' HG11 ' B' ' 20' ' ' VAL . 2.4 tt -61.83 -22.03 65.14 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.153 -0.931 . . . . 0.66 109.971 176.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.491 ' HE2' " H2'" ' C' ' 12' ' ' ' DG' . 37.5 m-85 -66.89 -41.18 87.61 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 115.841 -0.618 . . . . 1.22 110.214 178.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.428 ' HB2' ' CG1' ' B' ' 4' ' ' VAL . 20.2 m-20 -70.07 -31.24 68.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.237 -0.892 . . . . 1.45 110.103 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.608 ' HA ' HD23 ' B' ' 45' ' ' LEU . 51.5 t -67.1 -45.85 85.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.844 -0.616 . . . . 0.55 110.558 178.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.725 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -58.27 -54.7 44.01 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.062 -0.517 . . . . 0.63 111.817 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -61.84 -39.95 93.63 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.344 -0.844 . . . . 2.46 112.448 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.582 ' CB ' HD21 ' B' ' 45' ' ' LEU . 63.2 t80 -62.7 -38.48 90.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.481 0.658 . . . . 1.39 110.108 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.566 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -84.29 -21.59 30.99 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.326 -0.852 . . . . 0.69 111.126 -179.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 107.74 -47.75 1.02 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 110.754 -0.938 . . . . 1.09 110.754 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -45.52 160.92 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 115.546 1.684 . . . . 0.62 115.546 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 67.6 m -78.09 167.81 20.85 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 113.718 -1.583 . . . . 1.31 110.243 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.696 ' CE2' ' H73' ' C' ' 14' ' ' ' DT' . 26.3 t80 -57.61 -56.55 20.43 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.093 -0.958 . . . . 1.58 111.422 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.402 ' CD ' ' H62' ' C' ' 15' ' ' ' DA' . 4.5 mm-40 -58.19 -25.22 61.32 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 112.861 0.689 . . . . 0.89 112.861 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -66.13 -39.33 89.8 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.892 0.853 . . . . 0.64 109.613 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.725 HG21 ' HB2' ' B' ' 10' ' ' ALA . 10.9 t -67.47 -51.49 51.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 114.64 -1.164 . . . . 1.17 109.81 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 67.2 m -53.59 -49.77 67.05 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.418 -0.956 . . . . 1.13 108.418 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -48.81 -39.88 27.07 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 114.107 -1.406 . . . . 2.87 112.572 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.449 HG13 ' HG3' ' B' ' 35' ' ' ARG . 25.5 t -72.19 -41.15 66.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.21 0.529 . . . . 0.86 110.895 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.499 HG11 ' NZ ' ' B' ' 59' ' ' LYS . 45.8 t -66.14 -39.87 85.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 CA-C-N 115.423 -0.808 . . . . 1.03 111.557 -178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.471 HD21 ' P ' ' C' ' 14' ' ' ' DT' . 19.4 m-80 -81.26 -9.58 59.74 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.212 -0.449 . . . . 1.25 111.006 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 59.33 41.42 19.79 Favored 'General case' 0 N--CA 1.462 0.172 0 O-C-N 123.944 0.777 . . . . 3.75 109.893 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.18 171.63 13.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.031 -0.986 . . . . 2.36 111.355 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.456 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 9.3 p -84.86 170.93 12.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.973 -0.558 . . . . 1.96 110.438 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' B' ' 28' ' ' SER . 53.2 m170 72.0 40.43 0.73 Allowed 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.416 0.448 . . . . 1.34 111.951 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 13.5 t -132.4 124.54 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 N-CA-C 110.007 -0.368 . . . . 1.1 110.007 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.717 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 14.7 m -68.08 146.71 53.23 Favored 'General case' 0 N--CA 1.436 -1.149 0 N-CA-C 109.987 -0.375 . . . . 0.98 109.987 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.06 -51.86 65.02 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.417 0.525 . . . . 1.12 112.417 -178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -58.58 -48.31 81.37 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.065 0.394 . . . . 3.25 112.065 -178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.717 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -57.34 -36.47 71.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.053 -0.521 . . . . 0.77 111.19 179.632 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.449 ' HG3' HG13 ' B' ' 23' ' ' VAL . 49.7 ttt180 -68.8 -49.03 61.93 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.999 -0.546 . . . . 3.59 110.05 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.1 -36.02 74.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.081 -0.963 . . . . 1.96 111.159 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.566 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 19.6 ttmm -63.66 -38.45 91.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 1.91 111.268 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.621 ' O ' ' HG3' ' B' ' 42' ' ' MET . 96.2 t -73.42 -41.22 56.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.02 -0.536 . . . . 0.62 111.179 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -68.77 -28.25 66.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.847 0.356 . . . . 1.68 110.321 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.66 -44.69 23.18 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.248 -0.433 . . . . 0.77 110.42 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.444 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -53.9 -27.88 33.18 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.71 -0.677 . . . . 0.65 110.785 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.621 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 49.7 mtt -61.45 -21.88 64.55 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.212 -0.904 . . . . 0.71 110.9 179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.18 -48.09 7.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.376 -0.374 . . . . 0.9 111.702 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -57.59 -46.22 84.29 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-O 121.697 0.76 . . . . 1.58 110.729 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.618 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -75.4 -17.2 60.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.857 -1.065 . . . . 1.14 111.579 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 63.08 43.34 6.58 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 107.014 -1.476 . . . . 1.24 107.014 -175.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.696 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.6 t80 -56.27 122.09 11.0 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 114.185 -1.37 . . . . 1.46 111.209 -178.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.2 mm -133.86 101.92 12.57 Favored Pre-proline 0 N--CA 1.431 -1.401 0 N-CA-C 103.893 -2.632 . . . . 1.34 103.893 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.586 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 4.8 Cg_exo -34.48 126.6 0.2 Allowed 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 124.706 3.604 . . . . 0.72 115.355 -176.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.608 HD22 " H5'" ' C' ' 12' ' ' ' DG' . 2.0 m-20 -65.89 80.75 0.07 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 115.443 -0.799 . . . . 0.85 110.254 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 tpp85 -49.69 -30.3 8.97 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 114.017 1.118 . . . . 4.55 114.017 -177.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 85.4 m -68.22 -60.31 2.56 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 120.571 -0.452 . . . . 0.73 110.448 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.64 -36.28 75.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.959 0.409 . . . . 0.64 111.768 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.586 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 43.8 mt-30 -63.9 -32.92 74.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.182 -0.463 . . . . 1.04 111.488 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.679 HE21 HD21 ' B' ' 62' ' ' LEU . 0.9 OUTLIER -68.12 -50.04 57.31 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.232 -1.025 . . . . 2.45 108.232 179.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.598 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.1 mp -52.55 -42.8 64.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.152 -0.931 . . . . 0.65 110.729 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.414 ' CB ' ' H21' ' C' ' 12' ' ' ' DG' . . . -79.38 -7.99 58.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.972 -0.558 . . . . 1.07 111.991 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . 0.414 ' HA2' ' HB2' ' B' ' 62' ' ' LEU . . . 83.21 -53.02 4.82 Favored Glycine 0 C--O 1.24 0.483 0 C-N-CA 121.072 -0.585 . . . . 1.6 113.522 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.499 ' NZ ' HG11 ' B' ' 24' ' ' VAL . 30.1 tttm 50.13 -121.33 1.66 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 122.786 0.434 . . . . 5.04 111.208 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -124.46 12.65 8.74 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.627 -0.509 . . . . 6.57 109.627 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.45 -19.09 15.06 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.815 -0.629 . . . . 6.55 110.965 -178.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.679 HD21 HE21 ' B' ' 55' ' ' GLN . 1.1 mm? . . . . . 0 C--O 1.245 0.841 0 CA-C-O 118.398 -0.811 . . . . 8.33 111.307 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.498 -1.669 0 C3'-C2'-C1' 99.291 -2.435 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.482 H2'' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.04 0 C3'-C2'-C1' 99.296 -2.431 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.482 ' C8 ' H2'' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 103.631 -2.245 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.477 " H5'" " H1'" ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 103.96 -1.945 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.592 ' H71' ' O ' ' A' ' 29' ' ' HIS . . . . . . . . 0 C2'--C1' 1.508 -0.96 0 C3'-C2'-C1' 99.606 -2.21 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.539 ' C2 ' ' C2 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.152 0 O4'-C1'-C2' 104.21 -1.718 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.799 0 C3'-C2'-C1' 99.504 -2.283 . . . . 1.06 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.04 0 C3'-C2'-C1' 99.535 -2.261 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.869 0 C3'-C2'-C1' 99.918 -1.987 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 C3'-C2'-C1' 98.993 -2.648 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 103.94 -1.963 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.763 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.498 -1.625 0 C3'-C2'-C1' 98.913 -2.705 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.77 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.584 -1.901 0 O4'-C1'-C2' 103.892 -2.007 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.474 H2'' ' H71' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C3'-C2'-C1' 99.601 -2.214 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.696 ' H73' ' CE2' ' B' ' 17' ' ' TYR . . . . . . . . 0 C2'--C1' 1.514 -0.507 0 C5'-C4'-C3' 118.522 2.548 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . 0.402 ' H62' ' CD ' ' B' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.506 -1.07 0 C3'-C2'-C1' 100.254 -1.747 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.426 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.951 0 O4'-C1'-C2' 104.0 -1.909 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.426 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.023 0 C5'-C4'-C3' 117.539 1.893 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.76 0 C3'-C2'-C1' 100.029 -1.908 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.987 0 C3'-C2'-C1' 99.89 -2.007 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C3'-C2'-C1' 99.759 -2.101 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.406 H2'' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.941 0 C3'-C2'-C1' 99.497 -2.288 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.406 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.99 0 C3'-C2'-C1' 99.074 -2.59 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.205 0 C3'-C2'-C1' 100.302 -1.713 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C5'-C4'-C3' 116.572 1.248 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.434 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 107.192 0.993 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.434 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C3'-C2'-C1' 104.675 1.411 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.497 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.526 0.77 0 C3'-C2'-C1' 105.376 1.911 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.655 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C5'-C4'-C3' 116.184 0.99 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.655 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-C2' 107.327 1.116 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.477 ' H71' " C2'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 P--O3' 1.617 0.836 0 C3'-C2'-C1' 105.002 1.644 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.418 " O4'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 104.308 1.108 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.432 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C5'-C4'-O4' 107.974 -0.891 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.432 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.956 0 O4'-C1'-C2' 107.222 1.02 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O4'-C1'-C2' 107.957 1.688 . . . . 1.5 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.598 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.511 -0.688 0 N19-C1'-C2' 115.805 1.003 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.643 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.063 0 C3'-C2'-C1' 104.573 1.338 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.442 " H1'" " H5'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C5'-C4'-O4' 107.849 -0.97 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.442 " H5'" " H1'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-C2' 107.509 1.281 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.577 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 102.194 -1.006 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.577 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.956 0 C5'-C4'-C3' 115.847 0.765 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.539 ' C2 ' ' C2 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C5'-C4'-C3' 116.054 0.902 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.47 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C5'-C4'-C3' 115.597 0.598 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.719 " H2'" ' H72' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C5'-C4'-O4' 107.736 -1.04 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.719 ' H72' " H2'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 106.898 0.725 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . 0.456 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 107.06 0.872 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.1 mtp . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 110.182 -0.303 . . . . 6.94 110.182 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.98 117.04 50.95 Favored Pre-proline 0 C--N 1.326 -0.432 0 N-CA-C 110.26 -0.274 . . . . 5.85 110.26 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -70.45 96.08 0.64 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 121.765 1.643 . . . . 1.9 109.731 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.616 HG13 ' HB2' ' A' ' 8' ' ' ASP . 55.6 t -52.88 137.08 13.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.931 0 CA-C-N 114.685 -1.143 . . . . 0.99 110.519 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.644 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.8 p -98.63 170.51 8.75 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.782 -1.099 . . . . 0.72 113.282 -178.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.1 pt? -65.65 -16.93 64.21 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.971 -1.013 . . . . 0.66 110.193 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.447 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 72.7 m-85 -78.93 -38.87 36.18 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 109.799 -0.445 . . . . 0.68 109.799 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.616 ' HB2' HG13 ' A' ' 4' ' ' VAL . 73.5 m-20 -60.78 -41.67 96.01 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 122.528 1.156 . . . . 1.86 107.947 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 5' ' ' THR . 21.4 t -63.02 -47.8 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.04 0 CA-C-N 112.304 -2.226 . . . . 0.66 110.085 178.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.13 89.96 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 115.34 -0.845 . . . . 0.65 111.621 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 7' ' ' TYR . 45.9 mt-10 -68.17 -43.9 77.16 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.996 -0.547 . . . . 2.41 111.231 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.406 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 69.3 t80 -75.71 -25.86 57.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.847 0.356 . . . . 1.68 111.303 -179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.612 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.27 -17.6 39.18 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 108.719 -0.845 . . . . 0.71 108.719 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.46 37.14 58.7 Favored Glycine 0 C--N 1.339 0.741 0 C-N-CA 120.401 -0.904 . . . . 0.68 111.191 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.612 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.3 m -130.07 -169.43 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-N 114.258 -0.971 . . . . 0.62 111.002 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.5 m -97.95 164.23 12.45 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 107.305 -1.368 . . . . 1.03 107.305 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.451 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 53.5 p90 -68.89 -28.92 67.12 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.84 -1.17 . . . . 1.38 107.84 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' NE2' ' N6 ' ' D' ' 16' ' ' ' DA' . 4.3 tp-100 -60.88 -37.53 82.48 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.351 -1.295 . . . . 2.08 110.216 175.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.589 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 85.8 m -65.66 -46.14 80.25 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.172 0.51 . . . . 0.61 109.787 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.727 ' O ' HG23 ' A' ' 24' ' ' VAL . 76.5 t -56.1 -50.7 68.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 114.717 -1.129 . . . . 0.65 111.055 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.0 t -66.93 -30.11 70.16 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.095 -0.335 . . . . 1.22 110.095 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.589 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 6.2 mtm180 -64.44 -34.65 78.68 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.309 -0.405 . . . . 2.65 110.016 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.4 HG13 ' HG2' ' A' ' 35' ' ' ARG . 78.4 t -79.45 -47.02 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.776 -0.647 . . . . 0.92 111.254 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 20' ' ' VAL . 18.1 t -60.87 -47.67 92.32 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 N-CA-C 112.993 0.738 . . . . 0.94 112.993 -178.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.567 HD21 ' P ' ' D' ' 14' ' ' ' DT' . 68.1 m-20 -88.47 -25.68 22.48 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 114.139 1.163 . . . . 1.24 114.139 -177.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 14.0 mm-40 -129.12 -101.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 118.497 0.589 . . . . 4.46 111.322 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 145.04 -46.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 125.196 1.56 . . . . 2.66 110.713 -177.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 2.0 m -62.9 150.71 41.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.273 -0.876 . . . . 2.08 111.27 -178.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.526 ' HB3' ' C7 ' ' C' ' 4' ' ' ' DT' . 54.1 m170 75.56 16.08 2.61 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 121.885 0.85 . . . . 1.63 109.995 -178.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.0 t -133.18 122.89 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.254 0 CA-C-N 114.62 -1.173 . . . . 1.05 107.892 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.6 p -67.56 146.8 53.54 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.516 -0.765 . . . . 1.29 109.215 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.78 -37.26 68.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.107 -0.497 . . . . 1.09 110.211 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -54.55 -43.02 71.64 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.172 -0.467 . . . . 3.08 111.643 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -84.28 -43.2 15.07 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.628 0.233 . . . . 0.98 111.628 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 35' ' ' ARG . 16.1 ttp180 -53.55 -49.88 66.72 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.253 0.549 . . . . 3.63 112.439 -177.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 29.9 mt-10 -71.27 -23.05 61.9 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.973 -1.012 . . . . 1.72 110.702 -177.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -81.21 -30.97 34.12 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 115.693 -0.685 . . . . 1.44 110.21 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 34' ' ' THR . 96.8 t -78.26 -43.0 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 N-CA-C 109.457 -0.572 . . . . 0.68 109.457 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.83 -30.11 67.42 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 122.266 1.031 . . . . 1.7 108.79 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.484 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -75.7 -37.91 59.07 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.501 -1.227 . . . . 0.78 111.23 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.18 86.16 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.502 0.668 . . . . 0.79 110.098 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 mtt -64.63 -24.32 67.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.158 -0.928 . . . . 0.87 111.128 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.47 -34.74 18.58 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.646 0.736 . . . . 0.93 110.298 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 78.8 mm-40 -62.45 -57.76 10.06 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-O 122.752 1.263 . . . . 1.55 111.309 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.6 OUTLIER -83.04 -15.0 52.77 Favored 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 112.96 -1.927 . . . . 1.79 112.304 -177.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 28.7 m-80 67.67 70.89 0.34 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.573 0.701 . . . . 2.2 109.796 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' HD1' ' O ' ' A' ' 4' ' ' VAL . 7.1 t80 -83.16 124.29 30.37 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.159 -0.928 . . . . 1.38 110.805 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.77 103.85 55.24 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.652 -0.499 . . . . 1.39 109.652 178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.46 112.75 0.96 Allowed 'Trans proline' 0 N--CA 1.486 1.054 0 C-N-CA 123.383 2.722 . . . . 0.78 113.685 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -69.1 108.56 3.63 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.406 0.622 . . . . 0.69 111.122 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.597 ' H ' ' HD2' ' A' ' 51' ' ' ARG . 2.1 mpt_? -70.69 -28.68 64.94 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.451 -0.795 . . . . 4.2 111.203 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.55 -25.51 60.43 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.678 -0.692 . . . . 0.7 110.222 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.587 ' HB3' " C5'" ' D' ' 13' ' ' ' DC' . . . -80.77 -38.61 28.27 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.079 -0.964 . . . . 0.53 109.338 178.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -66.04 -31.19 71.94 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 114.945 -1.025 . . . . 1.67 108.7 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.498 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 48.8 mt-30 -73.57 -27.6 61.4 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 121.026 0.441 . . . . 2.66 109.921 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.723 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 8.5 tp -76.43 -42.12 45.14 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.285 -0.416 . . . . 0.61 111.533 179.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.41 -9.1 58.67 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.085 0.402 . . . . 0.85 112.085 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 119.75 110.97 2.34 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.715 -0.755 . . . . 1.86 111.594 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.498 ' HG2' ' HA ' ' A' ' 55' ' ' GLN . 7.0 mmtt -70.83 114.11 8.57 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-O 120.856 0.36 . . . . 6.17 111.814 -179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -83.25 90.08 7.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.53 -0.305 . . . . 6.76 111.037 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.9 m 69.71 -77.65 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 O-C-N 123.869 0.73 . . . . 7.52 112.308 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.5 tp . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.371 -0.823 . . . . 9.27 110.214 -178.897 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ttp . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 109.858 -0.423 . . . . 6.54 109.858 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -87.32 128.3 55.71 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.633 0.254 . . . . 5.5 110.929 -179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -60.12 124.2 14.74 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.767 2.311 . . . . 1.75 111.17 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.625 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 9.8 t -74.93 175.49 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.531 -0.759 . . . . 0.83 110.366 -179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.62 ' H ' HG12 ' B' ' 4' ' ' VAL . 27.1 p -131.37 152.18 50.85 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 109.704 -0.48 . . . . 0.68 109.704 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.604 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 0.7 OUTLIER -50.6 -29.51 11.06 Favored 'General case' 0 N--CA 1.431 -1.395 0 CA-C-O 122.035 0.921 . . . . 0.66 112.218 177.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.487 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 22.1 m-85 -70.48 -41.02 73.26 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 114.294 -1.321 . . . . 1.22 111.777 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -64.28 -32.94 74.73 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 108.95 -0.759 . . . . 1.45 108.95 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.615 ' HA ' HD23 ' B' ' 45' ' ' LEU . 49.5 t -66.54 -44.11 90.34 Favored 'Isoleucine or valine' 0 C--O 1.24 0.603 0 CA-C-N 115.654 -0.703 . . . . 0.55 110.098 179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.552 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -58.34 -60.51 3.66 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 124.017 0.823 . . . . 0.63 111.269 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.38 -38.89 69.44 Favored 'General case' 0 N--CA 1.445 -0.707 0 O-C-N 123.414 0.446 . . . . 2.46 112.023 -178.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.608 ' CB ' HD21 ' B' ' 45' ' ' LEU . 67.7 t80 -62.1 -47.1 86.12 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.915 -0.402 . . . . 1.39 109.915 178.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.516 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -78.85 -18.19 54.39 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 112.767 0.654 . . . . 0.69 112.767 -177.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 108.76 -48.33 0.95 Allowed Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 110.5 -1.04 . . . . 1.09 110.5 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.9 m -48.66 159.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 116.638 2.088 . . . . 0.62 116.638 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 68.1 m -71.35 165.24 24.15 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 114.023 -1.444 . . . . 1.31 108.525 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.445 ' HD1' ' CD2' ' B' ' 6' ' ' LEU . 0.0 OUTLIER -68.72 -48.22 64.38 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 110.518 -0.179 . . . . 1.58 110.518 -178.101 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.455 ' O ' ' HB2' ' B' ' 22' ' ' ARG . 24.3 tp60 -55.33 -14.76 2.0 Allowed 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.051 0.929 . . . . 0.89 110.852 176.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.2 m -80.09 -34.9 37.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.177 -0.92 . . . . 0.64 109.806 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.604 ' CG1' ' HG ' ' B' ' 6' ' ' LEU . 14.2 t -70.59 -46.36 70.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 114.714 -1.13 . . . . 1.17 109.514 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 27.5 m -53.62 -51.41 63.18 Favored 'General case' 0 C--N 1.348 0.508 0 N-CA-C 107.718 -1.216 . . . . 1.13 107.718 175.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 4.0 ttp180 -50.15 -39.29 42.96 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 112.771 -2.013 . . . . 2.87 112.959 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.51 HG11 ' HB ' ' B' ' 38' ' ' VAL . 47.2 t -81.21 -45.45 20.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 O-C-N 122.209 -0.307 . . . . 0.86 110.862 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.5 -46.88 48.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 122.696 0.398 . . . . 1.03 111.542 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.69 -3.48 57.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 1.25 111.426 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.536 ' OE1' ' HD3' ' B' ' 35' ' ' ARG . 77.5 mm-40 58.06 39.08 26.6 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.117 -0.492 . . . . 3.75 109.919 -178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.17 166.99 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.397 -0.82 . . . . 2.36 111.112 -178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.1 t -80.32 179.92 7.44 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 116.209 -0.45 . . . . 1.96 110.446 178.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 23.6 m170 64.68 39.64 6.3 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.15 0.5 . . . . 1.34 109.947 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.72 ' HB ' ' NH2' ' B' ' 35' ' ' ARG . 37.1 t -138.27 130.43 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 CA-C-N 116.158 -0.474 . . . . 1.1 110.975 -179.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.555 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 64.5 m -70.54 147.32 49.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.752 -0.658 . . . . 0.98 109.601 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' B' ' 36' ' ' GLU . . . -70.83 -9.07 56.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.37 0.878 . . . . 1.12 113.37 -177.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -91.45 -53.89 4.14 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 107.186 -1.413 . . . . 3.25 107.186 -177.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -55.49 -27.99 51.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 112.918 -1.946 . . . . 0.77 110.999 177.652 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.72 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 33.1 ttm-85 -71.58 -47.86 52.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.449 0.642 . . . . 3.59 110.457 178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' B' ' 32' ' ' ALA . 16.6 mm-40 -68.45 -27.67 66.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.375 -0.829 . . . . 1.96 111.101 -178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.516 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 1.3 tppt? -67.35 -48.42 67.54 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.56 -0.745 . . . . 1.91 109.878 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 34' ' ' THR . 70.5 t -65.88 -37.92 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.243 0 CA-C-N 115.505 -0.77 . . . . 0.62 112.116 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -69.7 -31.27 69.2 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.617 -0.433 . . . . 1.68 109.916 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.47 -45.24 69.48 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.075 -0.713 . . . . 0.77 109.075 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.01 62.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.311 -0.859 . . . . 0.65 112.118 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.472 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 52.4 mtt -70.24 -26.23 63.75 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.164 -1.05 . . . . 0.71 108.164 179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.26 -12.67 40.03 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.467 -1.242 . . . . 0.9 110.173 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -92.38 -52.68 4.55 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 107.282 -1.377 . . . . 1.58 107.282 -178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.615 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.2 OUTLIER -72.53 -10.61 60.0 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 114.006 -1.452 . . . . 1.14 112.566 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t30 60.9 46.14 8.9 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.293 -1.002 . . . . 1.24 108.293 -174.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.625 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.6 t80 -60.97 124.44 20.5 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 113.998 -1.455 . . . . 1.46 111.537 -177.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 10.2 mm -138.32 99.0 8.96 Favored Pre-proline 0 N--CA 1.427 -1.603 0 N-CA-C 103.044 -2.947 . . . . 1.34 103.044 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.445 ' HB2' ' NH1' ' B' ' 51' ' ' ARG . 0.5 OUTLIER -29.78 125.56 0.06 OUTLIER 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.915 3.743 . . . . 0.72 116.825 -175.646 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.454 HD22 " H5'" ' C' ' 12' ' ' ' DG' . 57.9 t-20 -52.23 94.81 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.397 -1.274 . . . . 0.85 110.246 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.445 ' NH1' ' HB2' ' B' ' 49' ' ' PRO . 27.5 mmt180 -57.93 -31.36 66.74 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.033 0.753 . . . . 4.55 113.033 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 78.1 m -73.38 -59.65 2.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 120.792 -0.363 . . . . 0.73 110.923 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.36 86.01 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.688 0.625 . . . . 0.64 112.688 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.535 ' HG2' H5'' ' C' ' 13' ' ' ' DA' . 10.8 mt-30 -63.97 -43.49 95.6 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.98 0.419 . . . . 1.04 111.129 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -60.87 -36.73 79.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.793 0.806 . . . . 2.45 108.877 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.556 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.5 tp -69.7 -47.52 62.91 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.5 -1.227 . . . . 0.65 110.803 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.61 -63.14 1.25 Allowed 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.687 -0.405 . . . . 1.07 110.332 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.51 -27.3 0.76 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 118.742 -1.694 . . . . 1.6 110.938 175.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.596 ' HD3' H5'' ' C' ' 14' ' ' ' DT' . 34.1 mtpt -125.48 -176.46 3.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 122.735 0.414 . . . . 5.04 110.253 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.402 ' HB2' ' H ' ' B' ' 61' ' ' SER . 32.1 mm-40 -134.24 -91.59 0.34 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.824 0.345 . . . . 6.57 110.273 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.402 ' H ' ' HB2' ' B' ' 60' ' ' GLN . 0.7 OUTLIER -90.61 -30.74 17.0 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.582 0.706 . . . . 6.55 109.12 179.463 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 37.4 mt . . . . . 0 C--O 1.252 1.209 0 CA-C-N 114.756 -1.111 . . . . 8.33 109.36 -179.808 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . 0.497 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.501 -1.45 0 C3'-C2'-C1' 99.708 -2.137 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.497 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.503 -1.305 0 O4'-C1'-C2' 103.91 -1.991 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.493 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.419 -1.342 0 O4'-C1'-C2' 103.83 -2.063 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.589 ' C6 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 C3'-C2'-C1' 99.76 -2.1 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.589 ' H72' ' C6 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C3'-C2'-C1' 99.722 -2.127 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.568 ' C8 ' " H1'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.803 0 O4'-C1'-C2' 104.1 -1.818 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.456 ' H71' ' HB3' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 C3'-C2'-C1' 99.834 -2.047 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 C3'-C2'-C1' 99.138 -2.544 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.999 0 C3'-C2'-C1' 99.28 -2.443 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C3'-C2'-C1' 99.163 -2.527 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.47 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.513 -0.59 0 O4'-C1'-C2' 103.829 -2.065 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.723 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.419 -1.293 0 C3'-C2'-C1' 98.577 -2.945 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.601 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.498 -1.644 0 C3'-C2'-C1' 100.093 -1.862 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.539 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 P--O3' 1.588 -1.625 0 C3'-C2'-C1' 99.601 -2.214 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.596 H5'' ' HD3' ' B' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-C2' 104.048 -1.866 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.456 0.895 0 O4'-C1'-C2' 103.899 -2.001 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.921 0 C3'-C2'-C1' 99.934 -1.975 . . . . 0.86 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.501 -1.437 0 C3'-C2'-C1' 99.929 -1.979 . . . . 0.93 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.243 0 C3'-C2'-C1' 100.146 -1.824 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.198 0 C3'-C2'-C1' 99.818 -2.059 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.148 0 C3'-C2'-C1' 99.23 -2.479 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.513 H2'' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.13 0 C3'-C2'-C1' 99.55 -2.25 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.513 ' H71' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.726 0 C3'-C2'-C1' 99.068 -2.594 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 100.347 -1.681 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.111 0 C4'-C3'-C2' 102.053 -1.147 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.49 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 P--O3' 1.628 1.717 0 O4'-C1'-C2' 107.32 1.109 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.566 ' C6 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C3'-C2'-C1' 104.447 1.248 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.566 ' H72' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.527 0.886 0 C3'-C2'-C1' 105.105 1.718 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.75 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.656 0 C5'-C4'-C3' 116.551 1.234 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.75 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.465 1.241 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.472 ' H71' " C2'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C3'-C2'-C1' 104.675 1.411 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.474 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C3'-C2'-C1' 104.217 1.084 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.499 H2'' ' OP2' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.535 0.742 0 C5'-C4'-O4' 107.65 -1.094 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.499 ' OP2' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.962 0 C5'-C4'-C3' 116.089 0.926 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.499 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.935 0 C3'-C2'-C1' 105.46 1.971 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.556 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C3'-C2'-C1' 101.34 -0.972 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.587 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.422 -1.137 0 O4'-C4'-C3' 106.93 1.33 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.567 ' P ' HD21 ' A' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-C1' 104.143 1.03 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.461 H2'' ' OP2' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 P--O3' 1.624 1.376 0 C3'-C2'-C1' 105.299 1.856 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.491 ' N6 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 107.376 1.16 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.456 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C5'-C4'-C3' 116.365 1.11 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 C5'-C4'-C3' 116.631 1.287 . . . . 1.21 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.44 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.627 0 O4'-C1'-C2' 107.232 1.029 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.501 H2'' ' C6 ' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 C1'-O4'-C4' 110.857 0.826 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.501 ' C6 ' H2'' ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C5'-C4'-C3' 115.786 0.724 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 N19-C1'-C2' 116.137 1.211 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 mtp . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 110.672 -0.122 . . . . 6.94 110.672 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -69.21 -59.01 5.49 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-O 119.497 -0.287 . . . . 5.85 110.757 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -89.67 152.32 5.16 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 121.965 1.777 . . . . 1.9 111.38 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.557 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 89.8 t -105.61 171.3 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 N-CA-C 106.948 -1.501 . . . . 0.99 106.948 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 9' ' ' VAL . 6.8 p -135.63 163.07 30.97 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 118.16 0.436 . . . . 0.72 110.15 -176.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.643 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -63.62 -16.7 61.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.536 0.684 . . . . 0.66 109.212 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.547 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 47.1 m-85 -77.21 -40.42 45.12 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 115.275 -0.875 . . . . 0.68 110.184 179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.56 -38.48 91.27 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.192 -1.04 . . . . 1.86 108.192 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 5' ' ' THR . 23.1 t -65.31 -42.9 94.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-N 112.944 -1.934 . . . . 0.66 109.078 178.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.61 97.31 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.699 -1.137 . . . . 0.65 110.899 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 7' ' ' TYR . 9.3 mm-40 -69.05 -47.06 66.32 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.077 0.465 . . . . 2.41 110.286 178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.576 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 1.8 t80 -61.76 -32.96 73.25 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.419 -0.81 . . . . 1.68 111.04 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' HB1' HG22 ' A' ' 38' ' ' VAL . . . -90.0 -20.49 23.21 Favored 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 115.842 -0.617 . . . . 0.71 111.529 -176.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.61 40.6 14.77 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.212 -0.994 . . . . 0.68 110.637 -178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.459 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.8 m -136.24 -171.98 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.035 -0.583 . . . . 0.62 109.731 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.3 m -97.78 153.95 17.94 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.815 -0.809 . . . . 1.03 108.815 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.643 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 35.8 p90 -53.11 -45.59 68.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.357 -0.383 . . . . 1.38 111.204 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' CD ' ' H41' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -62.47 -23.48 66.93 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.792 -0.363 . . . . 2.08 111.352 176.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.5 m -70.12 -43.29 71.28 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.83 -0.804 . . . . 0.61 108.83 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 24' ' ' VAL . 79.6 t -58.79 -46.86 90.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.076 -0.965 . . . . 0.65 110.847 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 7.9 m -59.06 -28.88 66.87 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.776 0.322 . . . . 1.22 111.44 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -74.6 -28.95 61.13 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.988 -0.551 . . . . 2.65 109.823 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.534 HG22 HG11 ' A' ' 30' ' ' VAL . 95.4 t -79.3 -42.6 23.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.383 0.611 . . . . 0.92 109.826 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 20' ' ' VAL . 19.4 t -65.55 -53.48 38.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.948 -1.024 . . . . 0.94 111.66 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -82.62 -34.36 27.6 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 113.97 1.1 . . . . 1.24 113.97 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.545 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 43.0 mt-30 -125.41 -117.72 0.28 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 118.163 0.438 . . . . 4.46 111.196 -177.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 155.89 -29.64 0.0 OUTLIER 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.816 1.323 . . . . 2.66 111.985 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -42.87 -92.52 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.955 1.094 . . . . 2.08 113.955 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.468 ' HB3' ' C7 ' ' C' ' 3' ' ' ' DT' . 3.0 m-70 -61.73 42.24 0.01 OUTLIER 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.806 1.242 . . . . 1.63 114.323 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.534 HG11 HG22 ' A' ' 23' ' ' VAL . 2.8 t -135.81 113.89 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.275 0 N-CA-C 108.475 -0.935 . . . . 1.05 108.475 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.1 m -50.63 135.15 23.58 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 123.881 0.738 . . . . 1.29 109.644 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.25 -36.96 53.94 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.261 -0.427 . . . . 1.09 110.934 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -60.09 -37.69 80.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.663 -0.699 . . . . 3.08 111.471 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -91.23 -42.62 10.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.53 0.567 . . . . 0.98 112.53 -178.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.462 HH11 ' HD3' ' A' ' 35' ' ' ARG . 36.9 ttp180 -55.54 -51.3 67.53 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.204 0.526 . . . . 3.63 112.043 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -69.58 -19.8 63.66 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.352 -0.84 . . . . 1.72 110.736 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -86.4 -28.86 23.3 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.191 -0.459 . . . . 1.44 110.033 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 34' ' ' THR . 83.2 t -74.08 -40.03 51.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.003 -0.74 . . . . 0.68 109.003 179.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -60.82 -32.02 71.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.626 . . . . 1.7 109.815 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -75.7 -29.81 59.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.054 -0.976 . . . . 0.78 110.726 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.591 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -65.4 -44.22 88.18 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.718 -0.475 . . . . 0.79 109.718 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.445 ' HE3' HG12 ' A' ' 38' ' ' VAL . 37.6 mtt -56.21 -26.53 51.41 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.298 -0.865 . . . . 0.87 112.758 -178.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.68 -24.14 29.1 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.631 0.729 . . . . 0.93 110.397 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 35.3 mm-40 -72.89 -60.92 2.0 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-N 115.023 -0.989 . . . . 1.55 112.577 -179.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.719 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -84.53 -5.98 59.34 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 115.539 -0.755 . . . . 1.79 112.167 -178.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 69.87 66.4 0.23 Allowed 'General case' 0 N--CA 1.468 0.47 0 O-C-N 123.528 0.517 . . . . 2.2 110.892 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.557 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.5 t80 -81.78 126.43 31.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.31 -0.405 . . . . 1.38 111.834 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.77 117.17 34.18 Favored Pre-proline 0 N--CA 1.443 -0.812 0 N-CA-C 109.497 -0.557 . . . . 1.39 109.497 177.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.01 121.44 10.0 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.144 2.563 . . . . 0.78 112.213 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -74.31 99.49 3.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.024 0.44 . . . . 0.69 111.684 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -58.94 -33.07 70.18 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.561 -0.745 . . . . 4.2 112.703 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.23 -40.25 64.83 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 118.118 0.417 . . . . 0.7 110.469 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.51 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -68.39 -41.37 80.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 108.475 -0.935 . . . . 0.53 108.475 178.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -57.95 -28.94 64.78 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 113.947 -1.479 . . . . 1.67 109.931 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -83.57 -41.15 18.21 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.593 -0.276 . . . . 2.66 110.401 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.616 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 12.6 tp -56.53 -53.66 54.93 Favored 'General case' 0 CA--C 1.519 -0.243 0 O-C-N 123.62 0.575 . . . . 0.61 110.886 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.23 -12.23 53.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.735 0.778 . . . . 0.85 109.378 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.47 -31.63 71.21 Favored Glycine 0 N--CA 1.438 -1.194 0 CA-C-N 114.328 -1.306 . . . . 1.86 114.516 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp 72.6 28.49 2.18 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.848 0.832 . . . . 6.17 109.275 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -113.56 -1.92 13.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.997 -1.001 . . . . 6.76 110.752 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.5 -28.44 62.89 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.686 -0.688 . . . . 7.52 110.26 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.117 0 CA-C-N 115.125 -0.943 . . . . 9.27 109.209 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 110.244 -0.28 . . . . 6.54 110.244 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.539 ' HB3' ' HD3' ' B' ' 3' ' ' PRO . 22.4 tptm -65.99 -61.35 5.66 Favored Pre-proline 0 CA--C 1.539 0.528 0 CA-C-O 119.663 -0.208 . . . . 5.5 111.044 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' B' ' 2' ' ' LYS . 55.2 Cg_endo -74.64 113.76 3.87 Favored 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 121.296 1.33 . . . . 1.75 109.958 177.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.754 HG21 ' O ' ' B' ' 45' ' ' LEU . 20.4 t -81.56 153.1 4.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.137 0 CA-C-N 115.091 -0.959 . . . . 0.83 109.546 -179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.675 HG22 ' HB2' ' B' ' 50' ' ' ASN . 76.9 p -135.53 171.13 14.89 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.914 -0.585 . . . . 0.68 111.421 -176.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.69 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.5 OUTLIER -50.21 -29.78 10.13 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.125 0.488 . . . . 0.66 111.258 178.765 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.533 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 33.1 m-85 -71.86 -38.35 70.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.93 -0.577 . . . . 1.22 110.922 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.405 ' CB ' HG13 ' B' ' 4' ' ' VAL . 0.4 OUTLIER -69.1 -31.62 70.46 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 121.605 0.717 . . . . 1.45 109.258 178.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.711 ' HA ' HD23 ' B' ' 45' ' ' LEU . 29.0 t -71.06 -45.13 73.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 114.692 -1.14 . . . . 0.55 110.684 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.654 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -59.89 -43.52 94.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.871 -0.604 . . . . 0.63 111.837 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -62.11 -52.84 62.24 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.023 -0.535 . . . . 2.46 112.231 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.585 ' HB3' HD21 ' B' ' 45' ' ' LEU . 62.1 t80 -60.2 -48.97 79.49 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.825 0.676 . . . . 1.39 112.825 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.77 -19.82 63.5 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 112.437 0.532 . . . . 0.69 112.437 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.91 47.46 19.41 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 119.87 -1.157 . . . . 1.09 111.622 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 m -132.65 165.13 33.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.238 0 N-CA-C 107.914 -1.143 . . . . 0.62 107.914 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.4 p -68.85 152.02 45.84 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.335 -1.357 . . . . 1.31 107.335 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.449 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -64.18 -17.81 63.87 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 111.717 0.266 . . . . 1.58 111.717 -178.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.91 -25.01 32.84 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 108.877 -0.786 . . . . 0.89 108.877 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 23' ' ' VAL . 19.7 m -62.59 -36.59 83.21 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.571 -0.74 . . . . 0.64 109.471 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.654 HG21 ' HB2' ' B' ' 10' ' ' ALA . 2.7 t -65.66 -47.75 85.0 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 114.641 -1.163 . . . . 1.17 109.2 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.7 t -56.34 -48.26 77.13 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 107.882 -1.155 . . . . 1.13 107.882 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -52.61 -42.16 64.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.014 -0.994 . . . . 2.87 112.665 178.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 19' ' ' THR . 77.4 t -75.2 -33.15 27.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.169 0.509 . . . . 0.86 110.921 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 t -75.67 -33.14 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 115.809 -0.632 . . . . 1.03 110.897 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -76.12 -82.26 0.08 Allowed 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.581 0.705 . . . . 1.25 110.708 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -154.87 96.78 1.89 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.345 -1.298 . . . . 3.75 109.577 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.12 120.96 5.44 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.783 -0.644 . . . . 2.36 110.385 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.4 t -159.44 -46.11 0.05 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.895 -0.593 . . . . 1.96 111.136 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -103.13 39.1 1.62 Allowed 'General case' 0 CA--C 1.515 -0.373 0 N-CA-C 108.203 -1.036 . . . . 1.34 108.203 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.4 ' CG1' ' HB ' ' B' ' 34' ' ' THR . 3.7 t -137.74 141.15 39.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.147 -0.933 . . . . 1.1 109.727 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.47 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 72.2 m -75.73 160.23 30.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.066 -0.515 . . . . 0.98 110.468 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.92 -51.89 62.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.819 0.342 . . . . 1.12 111.584 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -52.79 -59.51 4.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.518 -0.764 . . . . 3.25 110.937 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.47 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -52.84 -41.08 63.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.682 -1.145 . . . . 0.77 112.103 -179.077 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.577 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 21.9 ttp180 -63.15 -48.44 78.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.4 0.619 . . . . 3.59 110.802 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -75.14 -25.55 58.48 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.274 -0.876 . . . . 1.96 112.357 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -68.33 -39.84 81.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.281 0.562 . . . . 1.91 109.695 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.46 ' O ' ' HG3' ' B' ' 42' ' ' MET . 73.9 t -70.15 -40.18 77.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.405 -0.816 . . . . 0.62 110.346 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 36.7 mt-10 -63.42 -40.78 98.1 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.057 -0.52 . . . . 1.68 110.04 178.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.06 -48.88 76.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.658 -0.701 . . . . 0.77 110.547 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.37 -30.21 27.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.298 -0.865 . . . . 0.65 111.779 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.46 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 58.1 mtt -62.18 -21.74 65.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.117 -0.492 . . . . 0.71 110.564 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.83 -51.41 5.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.348 -0.387 . . . . 0.9 110.823 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.59 -46.89 83.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.263 -0.88 . . . . 1.58 109.855 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.754 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -74.81 -21.87 59.05 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.781 -1.1 . . . . 1.14 110.936 179.256 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t30 64.93 45.61 3.13 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 107.063 -1.458 . . . . 1.24 107.063 -175.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.621 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.3 t80 -59.83 121.09 10.85 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 114.568 -1.196 . . . . 1.46 111.131 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.1 mm -127.05 106.02 22.16 Favored Pre-proline 0 N--CA 1.435 -1.191 0 N-CA-C 104.228 -2.508 . . . . 1.34 104.228 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.457 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 2.1 Cg_exo -34.03 126.29 0.17 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.944 3.096 . . . . 0.72 114.415 -176.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.675 ' HB2' HG22 ' B' ' 5' ' ' THR . 38.8 t-20 -65.93 81.34 0.07 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.193 -0.912 . . . . 0.85 110.714 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -48.14 -25.63 1.55 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 114.259 1.207 . . . . 4.55 114.259 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 16.2 m -77.73 -52.47 8.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.556 -0.715 . . . . 0.73 110.959 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.56 -34.87 67.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.025 -0.534 . . . . 0.64 110.964 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.457 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 26.0 mt-30 -70.13 -28.32 65.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.914 -0.584 . . . . 1.04 111.938 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -81.26 -22.29 38.81 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.866 -1.161 . . . . 2.45 107.866 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.601 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.2 tp -85.39 -39.45 17.58 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.028 -0.987 . . . . 0.65 111.133 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.96 2.49 30.49 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.268 0.47 . . . . 1.07 112.268 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.94 54.65 5.21 Favored Glycine 0 CA--C 1.517 0.184 0 C-N-CA 120.9 -0.667 . . . . 1.6 113.542 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -137.03 122.02 18.94 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.168 -0.679 . . . . 5.04 109.168 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 65.98 10.15 6.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.488 -0.778 . . . . 6.57 110.954 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -83.06 -3.06 56.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 6.55 111.858 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.631 -0.699 . . . . 8.33 110.183 -179.046 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . 0.509 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.501 -1.412 0 C3'-C2'-C1' 99.127 -2.552 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.509 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.92 0 C3'-C2'-C1' 99.176 -2.517 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.507 ' C8 ' ' H71' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 C3'-C2'-C1' 98.699 -2.858 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.589 ' C6 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C3'-C2'-C1' 99.708 -2.137 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.589 ' H72' ' C6 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.083 0 C3'-C2'-C1' 99.659 -2.172 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.578 ' N7 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.942 0 C3'-C2'-C1' 99.995 -1.932 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.43 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.505 -1.132 0 C3'-C2'-C1' 99.646 -2.182 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . 0.522 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.137 0 C3'-C2'-C1' 99.357 -2.388 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.522 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 99.666 -2.167 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.569 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.582 0 C3'-C2'-C1' 99.005 -2.639 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.569 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.511 -0.728 0 O4'-C1'-C2' 103.95 -1.955 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.616 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.493 -2.006 0 C3'-C2'-C1' 98.998 -2.644 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.597 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.496 -1.768 0 O4'-C1'-C2' 104.072 -1.844 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.69 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 P--O3' 1.596 -0.911 0 C3'-C2'-C1' 99.518 -2.273 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C5'-C4'-C3' 117.727 2.018 . . . . 0.67 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.853 0 C3'-C2'-C1' 99.729 -2.122 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.469 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.505 -1.156 0 C3'-C2'-C1' 99.988 -1.937 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.469 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.258 0 C3'-C2'-C1' 99.697 -2.145 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.444 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.804 0 C3'-C2'-C1' 99.712 -2.135 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.823 0 O4'-C1'-C2' 103.894 -2.005 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 C3'-C2'-C1' 99.939 -1.972 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.411 H2'' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.935 0 C3'-C2'-C1' 99.256 -2.46 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.411 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.981 0 C3'-C2'-C1' 99.261 -2.457 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.846 0 C5'-C4'-C3' 116.315 1.077 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C4'-C3'-C2' 102.063 -1.137 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.569 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C5'-C4'-C3' 116.558 1.239 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.569 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C1'-O4'-C4' 111.179 1.057 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.415 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.527 0.893 0 C3'-C2'-C1' 104.962 1.616 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.508 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 C5'-C4'-C3' 116.117 0.945 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.508 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 C4'-C3'-C2' 104.005 0.805 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.405 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C5'-C4'-C3' 116.38 1.12 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.508 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C5'-C4'-C3' 116.843 1.429 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.508 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.512 -0.649 0 C4'-C3'-C2' 104.127 0.927 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.464 H2'' ' OP2' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 107.155 0.959 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.55 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.896 0 C3'-C2'-C1' 105.427 1.948 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.601 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 P--O3' 1.614 0.592 0 C3'-C2'-C1' 101.168 -1.094 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.559 ' C4 ' ' C5 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C3'-C2'-C1' 105.147 1.748 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.622 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C3'-C2'-C1' 105.279 1.842 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.622 ' C6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 108.03 1.754 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.484 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.922 0 O4'-C1'-C2' 104.784 -1.197 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.484 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O3'-P-O5' 102.489 -0.795 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.488 ' C6 ' ' N6 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.561 0 C5'-C4'-C3' 116.301 1.067 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.488 ' N6 ' ' C6 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 102.262 -0.938 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.549 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C5'-C4'-O4' 108.451 -0.593 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.549 ' H71' " C2'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C4'-C3'-C2' 102.114 -1.086 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . 0.413 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 N19-C1'-C2' 116.127 1.204 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 mmt . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.292 0.092 . . . . 6.94 110.754 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.537 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 47.1 tptt -68.1 -50.64 30.03 Favored Pre-proline 0 C--N 1.332 -0.181 0 C-N-CA 120.725 -0.39 . . . . 5.85 111.474 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 2' ' ' LYS . 29.7 Cg_endo -64.44 179.03 1.37 Allowed 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 121.517 1.478 . . . . 1.9 113.333 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.622 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 43.8 t -116.29 -179.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 106.453 -1.684 . . . . 0.99 106.453 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.615 ' H ' HG12 ' A' ' 4' ' ' VAL . 8.4 p -140.14 165.5 27.19 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 118.679 0.672 . . . . 0.72 110.398 -178.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -63.78 -20.91 66.14 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.08 -0.964 . . . . 0.66 109.937 177.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -76.1 -36.56 58.84 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 116.309 -0.405 . . . . 0.68 110.301 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.59 -40.6 95.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.761 -1.2 . . . . 1.86 107.761 178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.493 HG21 ' CD2' ' A' ' 47' ' ' TYR . 39.5 t -64.27 -46.28 93.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 CA-C-N 113.942 -1.481 . . . . 0.66 109.7 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.455 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -63.1 -39.19 93.96 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.596 -1.184 . . . . 0.65 111.179 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -66.93 -49.99 63.77 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.127 0.489 . . . . 2.41 110.019 178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.682 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.4 t80 -59.37 -34.47 72.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.718 -0.673 . . . . 1.68 111.092 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.617 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -87.82 -19.77 26.99 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.008 -0.996 . . . . 0.71 112.048 -177.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.54 32.76 54.07 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 110.182 -1.167 . . . . 0.68 110.182 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' A' ' 13' ' ' ALA . 29.1 m -124.16 -169.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 114.948 -0.626 . . . . 0.62 110.228 -177.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.455 ' OG ' " H2'" ' C' ' 5' ' ' ' DG' . 39.9 m -100.54 150.49 22.63 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.27 -1.011 . . . . 1.03 108.27 178.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.512 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.4 p90 -52.45 -39.19 60.79 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.206 -0.598 . . . . 1.38 111.004 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.484 ' NE2' ' HG3' ' A' ' 22' ' ' ARG . 8.0 tp60 -65.32 -27.22 68.45 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 120.567 -0.453 . . . . 2.08 111.372 176.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 23' ' ' VAL . 85.1 m -65.29 -41.44 94.14 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.561 -0.903 . . . . 0.61 108.561 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.611 ' O ' HG23 ' A' ' 24' ' ' VAL . 80.5 t -63.91 -55.06 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.685 0 CA-C-N 114.623 -1.171 . . . . 0.65 110.086 176.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 68.3 m -58.38 -26.4 63.15 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.31 -0.405 . . . . 1.22 112.048 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' HG3' ' NE2' ' A' ' 18' ' ' GLN . 23.2 mtm-85 -68.81 -32.09 71.56 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.404 -0.591 . . . . 2.65 109.404 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.49 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 58.2 t -85.95 -42.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.703 -0.68 . . . . 0.92 111.083 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 20' ' ' VAL . 21.8 t -63.34 -47.55 91.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.561 -0.745 . . . . 0.94 111.592 -178.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.455 ' C ' ' HG2' ' A' ' 26' ' ' GLN . 9.2 m-80 -66.64 -43.09 85.57 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.77 -0.65 . . . . 1.24 112.501 -178.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.455 ' HG2' ' C ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -166.15 -67.08 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.476 0.547 . . . . 4.46 112.476 -178.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.49 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . 97.86 145.91 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.546 0 C-N-CA 125.749 1.619 . . . . 2.66 112.396 179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.7 t -171.64 -89.26 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.274 -1.33 . . . . 2.08 107.844 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.546 ' HB3' ' C7 ' ' C' ' 3' ' ' ' DT' . 13.1 m170 -66.56 52.48 0.04 OUTLIER 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 124.596 1.158 . . . . 1.63 112.381 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.1 t -140.57 129.95 26.53 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.274 0 N-CA-C 107.229 -1.397 . . . . 1.05 107.229 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.5 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 36.2 m -60.21 132.72 54.81 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 109.343 -0.614 . . . . 1.29 109.343 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.604 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -52.43 -36.97 55.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 1.09 111.097 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -59.67 -42.78 93.65 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.596 -0.729 . . . . 3.08 110.314 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.5 ' OG1' ' HB2' ' A' ' 31' ' ' SER . 0.0 OUTLIER -72.27 -39.87 68.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.711 -0.222 . . . . 0.98 111.2 -179.066 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 35' ' ' ARG . 41.5 mtm-85 -55.89 -48.78 75.01 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.271 0.557 . . . . 3.63 111.609 179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 14.2 mt-10 -68.96 -19.79 64.17 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 114.984 -1.007 . . . . 1.72 110.929 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -86.44 -32.24 20.96 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 116.579 -0.282 . . . . 1.44 110.417 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.544 HG11 ' HA ' ' A' ' 20' ' ' VAL . 53.6 t -74.6 -43.2 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 N-CA-C 109.359 -0.608 . . . . 0.68 109.359 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' HA ' ' HG2' ' A' ' 42' ' ' MET . 33.8 mt-10 -66.05 -21.7 66.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.18 -0.918 . . . . 1.7 110.177 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.737 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -82.67 -35.72 26.59 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.195 -0.911 . . . . 0.78 109.251 177.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.682 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -68.24 -46.21 71.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 116.282 -0.417 . . . . 0.79 110.266 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.598 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 18.8 ptp -68.16 -17.96 64.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.398 -0.819 . . . . 0.87 111.424 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.28 -24.11 27.87 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.305 -0.628 . . . . 0.93 109.305 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.737 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 48.4 mm-40 -72.45 -63.12 1.22 Allowed 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 114.995 -1.002 . . . . 1.55 112.509 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.757 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -77.75 -0.78 28.3 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.289 -0.869 . . . . 1.79 111.384 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 66.11 65.53 0.51 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.697 0.76 . . . . 2.2 111.937 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.622 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.0 t80 -84.23 125.39 32.17 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 115.071 -0.968 . . . . 1.38 112.28 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -112.13 114.28 51.24 Favored Pre-proline 0 N--CA 1.443 -0.798 0 CA-C-N 114.861 -1.063 . . . . 1.39 109.47 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -60.55 115.08 2.43 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 121.858 1.706 . . . . 0.78 110.962 178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -76.71 103.61 6.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.49 0.662 . . . . 0.69 111.512 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -65.79 -16.42 63.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.975 -0.557 . . . . 4.2 110.642 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.36 -45.43 62.88 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.367 -0.605 . . . . 0.7 109.367 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.673 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -67.42 -38.03 83.96 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 115.343 -0.844 . . . . 0.53 109.64 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.514 ' HG3' H5'' ' D' ' 14' ' ' ' DT' . 18.3 tt0 -61.89 -44.65 96.36 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.068 -0.969 . . . . 1.67 110.149 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.442 ' HG2' HD22 ' A' ' 62' ' ' LEU . 34.6 mt-30 -62.47 -29.02 70.22 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.085 0.469 . . . . 2.66 110.606 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.775 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 8.3 tp -77.6 -45.53 24.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.977 -0.556 . . . . 0.61 110.842 179.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.28 -19.72 61.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.88 -0.6 . . . . 0.85 111.327 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 61' ' ' SER . . . -91.43 96.48 2.19 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.926 -0.654 . . . . 1.86 111.97 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -53.86 -39.46 65.68 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.668 0.746 . . . . 6.17 110.33 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.5 mm-40 -135.05 30.26 3.34 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.227 -0.897 . . . . 6.76 110.547 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.425 ' O ' ' HA3' ' A' ' 58' ' ' GLY . 74.7 m -145.98 128.17 15.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.908 -0.587 . . . . 7.52 111.556 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.442 HD22 ' HG2' ' A' ' 55' ' ' GLN . 31.6 mt . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.177 -0.916 . . . . 9.27 109.333 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.9 ttt . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 121.088 0.471 . . . . 6.54 110.07 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -105.31 140.44 21.13 Favored Pre-proline 0 N--CA 1.451 -0.398 0 CA-C-N 115.63 -0.713 . . . . 5.5 110.261 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -78.04 116.51 3.96 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.2 1.933 . . . . 1.75 111.057 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.627 HG12 ' H ' ' B' ' 5' ' ' THR . 4.9 t -127.82 174.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.455 -0.793 . . . . 0.83 109.947 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.736 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 17.4 p -136.06 161.75 34.82 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 119.388 -0.339 . . . . 0.68 111.568 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -54.83 -29.56 55.24 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 123.657 0.598 . . . . 0.66 111.278 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.576 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 26.6 m-85 -67.98 -36.97 80.92 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 116.228 -0.442 . . . . 1.22 110.95 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -71.63 -26.71 62.67 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.466 -0.494 . . . . 1.45 109.969 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 58.1 t -74.0 -44.43 50.71 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 CA-C-N 115.925 -0.58 . . . . 0.55 110.047 178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.617 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -57.03 -52.71 64.18 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.087 -0.96 . . . . 0.63 111.0 179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.23 -51.77 68.35 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.786 -1.097 . . . . 2.46 111.773 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.462 ' CD1' HD21 ' B' ' 45' ' ' LEU . 24.8 t80 -61.17 -53.83 52.05 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.642 0.608 . . . . 1.39 112.642 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.31 -28.04 69.44 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-O 120.815 0.34 . . . . 0.69 111.874 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.68 51.49 4.04 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.761 -0.733 . . . . 1.09 111.4 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.545 HG12 HG22 ' B' ' 34' ' ' THR . 16.2 m -136.56 163.93 32.17 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.809 0 N-CA-C 108.407 -0.96 . . . . 0.62 108.407 178.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 30.6 p -67.06 157.31 33.86 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.498 -1.297 . . . . 1.31 107.498 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.42 ' OH ' ' N7 ' ' C' ' 13' ' ' ' DA' . 0.0 OUTLIER -71.03 -13.39 61.97 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 120.84 0.352 . . . . 1.58 110.217 -178.229 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 16.5 tp60 -85.49 -40.7 16.07 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 107.306 -1.368 . . . . 0.89 107.306 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 98.2 m -49.74 -35.39 22.0 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 114.117 -1.402 . . . . 0.64 110.627 176.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.617 HG21 ' HB2' ' B' ' 10' ' ' ALA . 2.2 t -69.55 -49.43 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.019 -0.991 . . . . 1.17 110.072 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.4 ' OG ' ' H73' ' C' ' 14' ' ' ' DT' . 58.3 m -52.49 -49.24 65.12 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 107.247 -1.39 . . . . 1.13 107.247 177.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -53.04 -46.06 68.3 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 113.711 -1.586 . . . . 2.87 112.861 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.07 -34.8 46.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.58 -0.282 . . . . 0.86 110.892 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.21 -30.45 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 CA-C-N 115.52 -0.764 . . . . 1.03 111.405 -179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -97.5 -83.43 0.4 Allowed 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 112.719 0.637 . . . . 1.25 112.719 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -149.97 93.65 2.05 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.363 -0.835 . . . . 3.75 109.703 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.1 124.44 10.18 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 115.619 -0.719 . . . . 2.36 109.68 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.35 -42.66 1.66 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.322 0.582 . . . . 1.96 111.308 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.419 ' HA ' ' OP2' ' D' ' 3' ' ' ' DT' . 5.2 m170 -122.46 37.94 4.27 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.325 -0.852 . . . . 1.34 108.905 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.13 125.64 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.112 -0.949 . . . . 1.1 111.333 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.492 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 57.3 m -62.74 157.17 21.73 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.61 -0.723 . . . . 0.98 110.578 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.83 -58.3 8.44 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.11 0.782 . . . . 1.12 113.11 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -53.21 -49.5 66.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.313 -0.403 . . . . 3.25 111.711 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.545 HG22 HG12 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -59.43 -33.86 71.79 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 123.601 0.563 . . . . 0.77 111.84 179.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 36.5 ttp85 -72.82 -42.4 63.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.245 0.545 . . . . 3.59 109.817 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.6 -39.03 77.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.52 -0.763 . . . . 1.96 111.951 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -59.48 -43.37 93.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.279 -0.873 . . . . 1.91 111.542 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.546 ' O ' ' HG3' ' B' ' 42' ' ' MET . 87.5 t -68.22 -37.13 77.58 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 CA-C-N 115.618 -0.719 . . . . 0.62 110.761 -179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.97 -34.87 77.38 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.537 -0.756 . . . . 1.68 109.623 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.93 70.33 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.215 0.531 . . . . 0.77 110.658 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.493 ' O ' HD12 ' B' ' 45' ' ' LEU . . . -55.16 -28.81 55.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.775 -1.102 . . . . 0.65 112.555 178.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.546 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 67.0 mtt -65.54 -20.4 66.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.005 -0.543 . . . . 0.71 110.136 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.85 -54.11 4.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.795 -0.639 . . . . 0.9 111.947 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.47 -56.12 15.07 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.203 1.001 . . . . 1.58 111.884 -179.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.493 HD12 ' O ' ' B' ' 41' ' ' ALA . 2.4 mt -76.91 -8.05 56.66 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.438 -1.71 . . . . 1.14 112.87 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.527 ' O ' HG12 ' B' ' 48' ' ' ILE . 6.1 t-20 57.21 47.21 17.44 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.397 0.618 . . . . 1.24 109.435 -177.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.612 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.0 t80 -57.15 125.82 24.42 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 114.997 -1.001 . . . . 1.46 109.224 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.527 HG12 ' O ' ' B' ' 46' ' ' ASN . 29.3 mm -134.7 100.36 12.31 Favored Pre-proline 0 N--CA 1.429 -1.5 0 N-CA-C 104.269 -2.493 . . . . 1.34 104.269 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.473 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.1 OUTLIER -30.05 127.65 0.06 OUTLIER 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 124.729 3.62 . . . . 0.72 115.58 -176.641 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.571 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 39.2 t-20 -62.33 87.78 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 115.856 -0.611 . . . . 0.85 109.58 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -53.72 -27.56 28.94 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.991 1.108 . . . . 4.55 113.991 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 56.3 m -77.92 -60.82 2.21 Favored 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 111.976 0.362 . . . . 0.73 111.976 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.421 ' HB3' " H4'" ' C' ' 12' ' ' ' DG' . . . -61.91 -42.66 99.35 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 116.109 -0.496 . . . . 0.64 111.313 -178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 47.8 mt-30 -56.57 -59.1 5.49 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.312 -0.858 . . . . 1.04 110.07 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -51.1 -27.73 9.02 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.241 -0.436 . . . . 2.45 110.946 178.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.673 HD11 ' HB2' ' A' ' 53' ' ' ALA . 2.0 tp -75.43 -46.47 32.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.002 -0.545 . . . . 0.65 110.206 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.1 6.29 3.59 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.852 0.686 . . . . 1.07 112.852 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.71 36.61 6.38 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 119.876 -1.154 . . . . 1.6 114.562 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.403 ' HB2' ' HB3' ' B' ' 54' ' ' GLN . 23.6 tptp -69.32 133.97 48.52 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.846 -0.427 . . . . 5.04 109.846 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.48 65.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.325 0.583 . . . . 6.57 111.95 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.3 m -145.0 -6.85 0.65 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.765 -0.652 . . . . 6.55 110.732 -179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 14.4 tp . . . . . 0 C--O 1.246 0.892 0 N-CA-C 108.742 -0.836 . . . . 8.33 108.742 -179.147 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . 0.421 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.5 -1.523 0 C3'-C2'-C1' 99.065 -2.597 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.421 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.501 -1.453 0 C3'-C2'-C1' 99.69 -2.15 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.507 ' C8 ' ' H71' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.995 0 C3'-C2'-C1' 98.798 -2.787 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.546 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 103.932 -1.971 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.441 ' C2 ' ' C5 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 99.311 -2.421 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.462 ' C2 ' ' C2 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.038 0 C3'-C2'-C1' 100.23 -1.764 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.904 0 C3'-C2'-C1' 99.751 -2.106 . . . . 1.06 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.037 0 C3'-C2'-C1' 99.629 -2.194 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.022 0 C3'-C2'-C1' 99.711 -2.135 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 C3'-C2'-C1' 98.688 -2.866 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.467 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 C5'-C4'-C3' 117.709 2.006 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.775 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.497 -1.742 0 C3'-C2'-C1' 98.916 -2.703 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.736 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.497 -1.707 0 C3'-C2'-C1' 99.169 -2.522 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.484 " C5'" ' HG2' ' B' ' 54' ' ' GLN . . . . . . . . 0 P--OP1 1.497 0.726 0 C3'-C2'-C1' 99.626 -2.196 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.4 ' H73' ' OG ' ' B' ' 21' ' ' SER . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-C2' 103.898 -2.002 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.942 0 C3'-C2'-C1' 100.012 -1.92 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.439 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C1'-C2' 103.868 -2.029 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.439 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 C3'-C2'-C1' 100.028 -1.909 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.207 0 C3'-C2'-C1' 99.552 -2.249 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.402 " H1'" " H5'" ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.905 0 O4'-C1'-C2' 104.033 -1.879 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.451 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.022 0 O4'-C1'-C2' 103.694 -2.187 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.451 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-C1' 99.292 -2.435 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.433 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.861 0 C3'-C2'-C1' 99.261 -2.456 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . 0.4 " H1'" " H5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.511 -0.748 0 C3'-C2'-C1' 100.898 -1.287 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.4 " H5'" " H1'" ' D' ' -1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C5'-C4'-O4' 108.093 -0.817 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.53 H2'' H5'' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C4'-C3' 104.431 -1.169 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.53 H5'' H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C4'-C3'-C2' 101.53 -1.67 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.461 " H1'" " O4'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.529 1.116 0 C3'-C2'-C1' 105.332 1.88 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.461 " O4'" " H1'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.807 0 C4'-C3'-C2' 104.547 1.347 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.439 ' H72' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C1'-C2' 106.93 0.755 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.419 " C5'" H2'' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-C2' 107.411 1.192 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.476 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C3'-C2'-C1' 104.196 1.069 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.501 H2'' ' C6 ' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.912 0 O4'-C1'-N19 108.603 1.004 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.501 ' C6 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 C3'-C2'-C1' 104.114 1.01 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.534 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.904 0 C3'-C2'-C1' 106.442 2.673 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.615 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.51 -0.775 0 C4'-C3'-C2' 103.76 0.56 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.576 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C5'-C4'-C3' 117.103 1.602 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.514 H5'' ' HG3' ' A' ' 54' ' ' GLN . . . . . . . . 0 P--O3' 1.622 1.275 0 OP2-P-O3' 110.098 0.562 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.503 " H5'" " H1'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.781 0 C3'-C2'-C1' 105.479 1.985 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.461 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.562 0 C3'-C2'-C1' 101.823 -0.627 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.461 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 P-O5'-C5' 119.628 -0.795 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.462 ' C2 ' ' C2 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C4'-C3'-C2' 102.275 -0.925 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.567 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 N19-C1'-C2' 112.712 -0.93 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.567 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C4'-C3' 106.557 0.957 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.566 ' H71' " H2'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C5'-C4'-O4' 108.061 -0.837 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . 0.426 ' C6 ' H2'' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.051 0.865 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 121.227 0.537 . . . . 6.94 111.731 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 3' ' ' PRO . 47.8 tttm -122.81 100.71 40.25 Favored Pre-proline 0 C--N 1.309 -1.174 0 N-CA-C 109.138 -0.69 . . . . 5.85 109.138 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 2' ' ' LYS . 34.7 Cg_endo -65.85 130.05 23.63 Favored 'Trans proline' 0 CA--C 1.517 -0.338 0 C-N-CA 122.564 2.176 . . . . 1.9 111.235 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.529 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 65.0 t -117.92 125.21 74.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 107.777 -1.194 . . . . 0.99 107.777 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.616 HG21 ' P ' ' D' ' 12' ' ' ' DG' . 18.0 p -99.98 178.27 4.85 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 113.228 0.825 . . . . 0.72 113.228 -176.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.519 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.5 pt? -66.47 -17.46 64.81 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.657 -1.156 . . . . 0.66 109.835 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -76.04 -41.14 51.74 Favored 'General case' 0 N--CA 1.46 0.06 0 CA-C-N 116.219 -0.446 . . . . 0.68 110.526 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -64.88 -38.18 90.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 122.649 1.214 . . . . 1.86 107.792 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 5' ' ' THR . 42.6 t -66.15 -48.24 82.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 112.868 -1.969 . . . . 0.66 110.264 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.98 -39.03 80.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.65 111.22 178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.13 -49.99 57.57 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 115.708 -0.678 . . . . 2.41 111.161 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.47 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 70.5 t80 -66.76 -24.74 66.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.561 -0.29 . . . . 1.68 111.682 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -88.91 -24.49 22.47 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 121.851 0.834 . . . . 0.71 110.525 -177.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.45 43.65 15.11 Favored Glycine 0 N--CA 1.439 -1.104 0 N-CA-C 110.423 -1.071 . . . . 0.68 110.423 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.443 HG22 ' HB3' ' A' ' 13' ' ' ALA . 27.5 m -135.05 -167.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.714 -0.743 . . . . 0.62 110.057 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.1 p -97.88 151.98 19.68 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.246 -1.39 . . . . 1.03 107.246 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.519 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 16.5 p90 -55.03 -38.2 67.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 109.473 -0.565 . . . . 1.38 109.473 -179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.51 ' CD ' ' H41' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -63.77 -33.68 76.2 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.456 -0.793 . . . . 2.08 111.462 177.182 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.4 m -64.12 -40.98 97.34 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 109.107 -0.701 . . . . 0.61 109.107 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.667 ' HA ' HG11 ' A' ' 38' ' ' VAL . 43.5 t -59.97 -51.33 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 115.624 -0.716 . . . . 0.65 110.17 177.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.13 -30.55 70.44 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.522 -0.763 . . . . 1.22 110.459 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.62 ' HB3' HG21 ' A' ' 30' ' ' VAL . 39.1 mtt180 -69.74 -31.77 69.94 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.658 -0.867 . . . . 2.65 108.658 178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.61 HG13 ' HG3' ' A' ' 35' ' ' ARG . 78.0 t -80.12 -40.44 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 CA-C-O 120.828 0.347 . . . . 0.92 110.736 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 20' ' ' VAL . 40.2 t -61.36 -41.21 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.811 0 CA-C-O 121.74 0.781 . . . . 0.94 109.051 178.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -71.32 -33.97 70.13 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.387 -1.279 . . . . 1.24 111.61 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 21.9 mt-30 65.72 53.49 1.18 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.23 0.612 . . . . 4.46 112.136 178.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.04 -161.27 0.76 Allowed 'General case' 0 C--O 1.24 0.556 0 CA-C-N 115.869 -0.605 . . . . 2.66 111.788 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.482 ' O ' HG23 ' A' ' 30' ' ' VAL . 94.2 p -91.93 -173.88 3.63 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.61 -0.723 . . . . 2.08 109.762 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.483 ' O ' ' H71' ' C' ' 4' ' ' ' DT' . 28.8 m170 61.31 25.05 15.07 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-O 122.02 0.914 . . . . 1.63 110.471 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.62 HG21 ' HB3' ' A' ' 22' ' ' ARG . 59.5 t -136.85 126.49 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 114.788 -1.096 . . . . 1.05 110.382 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.4 m -74.02 142.96 45.73 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.599 0.714 . . . . 1.29 111.052 178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.78 -30.58 70.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.921 -0.581 . . . . 1.09 110.712 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 10.7 mtpp -60.0 -52.13 66.69 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.197 0.522 . . . . 3.08 110.353 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -66.62 -36.19 81.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.209 -0.45 . . . . 0.98 111.274 -179.445 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.61 ' HG3' HG13 ' A' ' 23' ' ' VAL . 38.8 ttp180 -59.13 -45.69 90.29 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.332 -0.395 . . . . 3.63 111.51 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.13 -27.07 62.37 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.898 0.703 . . . . 1.72 112.898 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -82.11 -25.07 34.76 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.489 0.662 . . . . 1.44 110.96 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.667 HG11 ' HA ' ' A' ' 20' ' ' VAL . 69.1 t -80.91 -40.62 18.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.277 -0.874 . . . . 0.68 109.369 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -59.87 -34.47 73.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.111 -0.95 . . . . 1.7 109.792 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.73 -38.03 79.89 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.509 -1.223 . . . . 0.78 110.204 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.53 89.36 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 115.327 -0.852 . . . . 0.79 110.614 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 23.7 mtt -61.29 -27.91 68.81 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.864 0.69 . . . . 0.87 112.864 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.29 -32.39 24.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.589 0.709 . . . . 0.93 110.34 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.47 ' HG3' ' CE2' ' A' ' 12' ' ' TYR . 21.1 mm-40 -65.64 -57.63 7.64 Favored 'General case' 0 CA--C 1.491 -1.31 0 CA-C-N 114.697 -1.138 . . . . 1.55 110.576 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.409 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -82.92 -9.11 59.46 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.288 -1.324 . . . . 1.79 112.543 -177.642 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.401 ' O ' HD12 ' A' ' 48' ' ' ILE . 17.4 m120 62.21 58.81 1.72 Allowed 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.84 0.829 . . . . 2.2 109.091 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.529 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 5.7 t80 -76.35 125.45 29.21 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.667 -1.151 . . . . 1.38 111.315 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.401 HD12 ' O ' ' A' ' 46' ' ' ASN . 3.4 mp -106.52 113.1 63.45 Favored Pre-proline 0 N--CA 1.441 -0.908 0 N-CA-C 109.179 -0.674 . . . . 1.39 109.179 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.04 126.76 17.85 Favored 'Trans proline' 0 N--CA 1.475 0.421 0 C-N-CA 122.832 2.355 . . . . 0.78 111.888 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -85.45 98.6 10.69 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.504 0.668 . . . . 0.69 112.065 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -19.15 63.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.487 -0.779 . . . . 4.2 111.057 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.462 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -77.85 -37.36 48.54 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.261 -0.882 . . . . 0.7 110.003 -179.741 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.884 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -78.41 -41.97 31.54 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 121.301 0.572 . . . . 0.53 109.978 179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' N ' " H4'" ' D' ' 13' ' ' ' DC' . 0.0 OUTLIER -61.43 -31.6 71.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.566 -0.743 . . . . 1.67 110.21 179.218 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -77.59 -25.95 50.33 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.287 -0.634 . . . . 2.66 109.287 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.698 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 11.2 tp -63.13 -53.65 50.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.559 -0.746 . . . . 0.61 110.199 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.64 -15.04 58.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.491 0.662 . . . . 0.85 110.501 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.91 -137.62 9.75 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 115.464 -0.789 . . . . 1.86 111.468 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.577 ' O ' ' HB2' ' A' ' 60' ' ' GLN . 28.6 mmtp -124.67 171.73 9.84 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 120.443 0.163 . . . . 6.17 110.591 179.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.577 ' HB2' ' O ' ' A' ' 59' ' ' LYS . 2.1 mp0 76.44 32.02 0.58 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.927 0.767 . . . . 6.76 110.623 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.52 -66.57 0.79 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.916 -0.584 . . . . 7.52 110.253 179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.9 mt . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.354 -0.831 . . . . 9.27 110.953 179.51 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tmt? . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 109.852 -0.425 . . . . 6.54 109.852 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.404 ' CB ' ' HD3' ' B' ' 3' ' ' PRO . 4.1 mmtm -121.04 -58.64 0.03 OUTLIER Pre-proline 0 C--N 1.32 -0.706 0 CA-C-O 119.513 -0.28 . . . . 5.5 111.017 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.404 ' HD3' ' CB ' ' B' ' 2' ' ' LYS . 2.5 Cg_endo -81.06 157.88 20.43 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 121.524 1.482 . . . . 1.75 112.032 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.695 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 54.5 t -107.07 164.15 4.84 Favored 'Isoleucine or valine' 0 C--O 1.243 0.745 0 N-CA-C 108.866 -0.79 . . . . 0.83 108.866 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.725 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 32.4 p -132.9 162.26 32.07 Favored 'General case' 0 N--CA 1.434 -1.241 0 C-N-CA 119.978 -0.689 . . . . 0.68 110.279 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.462 HD22 ' OP2' ' C' ' 13' ' ' ' DA' . 0.8 OUTLIER -56.53 -28.31 59.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.672 0.272 . . . . 0.66 110.905 178.151 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.588 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 21.7 m-85 -67.76 -35.0 77.92 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 121.629 0.728 . . . . 1.22 111.139 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -71.12 -34.46 71.09 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 109.26 -0.645 . . . . 1.45 109.26 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.615 ' HA ' HD23 ' B' ' 45' ' ' LEU . 60.5 t -68.67 -40.9 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 115.219 -0.9 . . . . 0.55 110.848 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.671 ' HB2' HG11 ' B' ' 20' ' ' VAL . . . -62.44 -52.23 64.34 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.499 -0.773 . . . . 0.63 111.446 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -60.28 -49.53 77.26 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.238 -0.892 . . . . 2.46 112.603 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.487 ' CB ' HD21 ' B' ' 45' ' ' LEU . 56.9 t80 -57.91 -43.53 86.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 112.435 0.531 . . . . 1.39 112.435 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.452 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -75.64 -21.94 57.25 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 120.675 -0.41 . . . . 0.69 111.502 -177.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.81 46.44 5.99 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.76 -0.733 . . . . 1.09 112.71 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 18.7 m -135.24 167.29 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 N-CA-C 108.438 -0.949 . . . . 0.62 108.438 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.7 m -74.41 163.79 27.37 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 120.182 -0.607 . . . . 1.31 109.657 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.495 ' O ' HG12 ' B' ' 20' ' ' VAL . 0.2 OUTLIER -64.49 -40.73 96.21 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-O 120.873 0.368 . . . . 1.58 110.771 -178.314 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 12.9 tp60 -62.06 -31.98 72.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.231 -0.918 . . . . 0.89 111.03 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 5.7 m -59.8 -49.9 75.91 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.646 0.779 . . . . 0.64 112.071 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.671 HG11 ' HB2' ' B' ' 10' ' ' ALA . 5.3 p -62.95 -43.8 99.23 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-N 115.75 -0.659 . . . . 1.17 111.242 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.491 ' CB ' ' H73' ' C' ' 14' ' ' ' DT' . 0.4 OUTLIER -55.69 -48.83 74.45 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.146 -1.057 . . . . 1.13 108.146 177.44 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.476 ' CZ ' ' H71' ' D' ' 4' ' ' ' DT' . 47.9 mtt180 -52.4 -37.14 55.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.848 -1.069 . . . . 2.87 112.483 178.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 84.3 t -69.16 -40.58 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 N-CA-C 109.437 -0.579 . . . . 0.86 109.437 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 44.5 t -68.13 -35.89 73.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-O 121.627 0.727 . . . . 1.03 109.181 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -9.36 58.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.803 -0.635 . . . . 1.25 110.903 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 55.74 44.14 26.74 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.994 -0.743 . . . . 3.75 108.994 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.94 161.79 25.72 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-N 114.863 -1.062 . . . . 2.36 111.259 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.06 -28.02 27.9 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.409 -0.814 . . . . 1.96 111.898 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -83.66 47.04 1.23 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.066 -0.516 . . . . 1.34 110.982 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -137.28 120.6 21.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 116.09 -0.504 . . . . 1.1 109.951 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.448 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 69.9 m -66.74 151.96 46.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.078 -0.51 . . . . 0.98 110.339 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.12 -48.59 75.92 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 120.694 0.283 . . . . 1.12 111.618 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -58.62 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.316 0.579 . . . . 3.25 111.656 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.45 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -56.52 -40.63 75.36 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.421 -1.263 . . . . 0.77 111.507 179.691 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 tpp85 -61.46 -50.35 73.13 Favored 'General case' 0 N--CA 1.443 -0.776 0 O-C-N 123.289 0.368 . . . . 3.59 110.852 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.08 -31.59 71.33 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.974 -0.557 . . . . 1.96 112.455 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.452 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 2.1 ttpt -63.9 -40.77 97.26 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.933 0.873 . . . . 1.91 110.139 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.512 ' CG1' HG23 ' B' ' 20' ' ' VAL . 98.0 t -72.54 -43.07 63.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-N 114.845 -1.071 . . . . 0.62 111.412 -178.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -64.0 -34.9 79.05 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.13 0.49 . . . . 1.68 110.231 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.45 -46.24 67.2 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.823 -0.626 . . . . 0.77 110.044 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.91 -30.19 57.86 Favored 'General case' 0 CA--C 1.515 -0.375 0 O-C-N 123.54 0.525 . . . . 0.65 111.605 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 63.3 mtt -63.03 -22.53 66.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 123.921 0.763 . . . . 0.71 110.009 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.95 -46.95 8.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 O-C-N 123.461 0.475 . . . . 0.9 110.769 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.71 -44.46 85.96 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.808 -0.812 . . . . 1.58 108.808 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.653 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.0 OUTLIER -74.61 -19.51 60.28 Favored 'General case' 0 CA--C 1.505 -0.778 0 CA-C-N 114.848 -1.069 . . . . 1.14 113.296 -179.326 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.418 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.8 OUTLIER 64.59 41.9 5.15 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 107.098 -1.445 . . . . 1.24 107.098 -175.385 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.695 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.0 t80 -55.21 124.8 18.13 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-N 114.223 -1.353 . . . . 1.46 111.607 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.418 HG12 ' O ' ' B' ' 46' ' ' ASN . 17.6 mm -134.53 99.58 12.93 Favored Pre-proline 0 N--CA 1.439 -0.996 0 N-CA-C 103.645 -2.724 . . . . 1.34 103.645 176.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -31.49 127.84 0.08 OUTLIER 'Trans proline' 0 CA--C 1.532 0.42 0 C-N-CA 124.744 3.629 . . . . 0.72 115.595 -175.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.425 HD22 " C5'" ' C' ' 12' ' ' ' DG' . 50.5 t-20 -71.0 78.2 0.65 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 114.953 -1.022 . . . . 0.85 110.061 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.581 ' O ' ' HG3' ' B' ' 55' ' ' GLN . 8.0 tpp180 -52.79 -16.71 1.06 Allowed 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 115.18 -0.918 . . . . 4.55 113.018 -177.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.462 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 68.9 m -67.86 -60.99 2.09 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 121.488 0.661 . . . . 0.73 109.732 178.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.429 ' HB3' " H4'" ' C' ' 12' ' ' ' DG' . . . -79.51 -25.67 41.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.259 -0.882 . . . . 0.64 111.126 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.55 ' HB2' ' HA ' ' B' ' 51' ' ' ARG . 3.6 mt-30 -61.78 -36.28 80.61 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.024 -0.534 . . . . 1.04 110.135 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.602 ' HA ' ' O ' ' B' ' 59' ' ' LYS . 37.7 mt-30 -70.63 -50.83 32.78 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 107.881 -1.155 . . . . 2.45 107.881 178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' A' ' 53' ' ' ALA . 5.9 mp -52.53 -41.44 63.49 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-N 115.247 -0.888 . . . . 0.65 111.394 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.51 -6.73 54.61 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 113.865 1.061 . . . . 1.07 113.865 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 146.67 -49.85 0.62 Allowed Glycine 0 CA--C 1.506 -0.531 0 C-N-CA 119.197 -1.478 . . . . 1.6 113.906 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' B' ' 55' ' ' GLN . 7.0 tttm -78.64 81.65 4.94 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-O 121.506 0.67 . . . . 5.04 111.513 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.412 ' HA ' ' HG2' ' B' ' 55' ' ' GLN . 2.6 mt-30 -84.66 148.16 26.57 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 114.833 -1.076 . . . . 6.57 109.993 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -137.69 59.6 1.66 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.959 0.409 . . . . 6.55 110.72 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--O 1.248 0.999 0 CA-C-N 115.473 -0.785 . . . . 8.33 109.377 178.548 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . 0.53 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.233 0 C3'-C2'-C1' 99.121 -2.557 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.53 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.767 0 C3'-C2'-C1' 99.761 -2.099 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.567 0 O4'-C1'-C2' 103.791 -2.099 . . . . 1.55 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C5'-C4'-C3' 117.913 2.142 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.618 ' C2 ' ' C5 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C3'-C2'-C1' 99.279 -2.444 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.618 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 104.024 -1.887 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.585 ' H71' " C2'" ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.823 0 C3'-C2'-C1' 99.562 -2.241 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.097 0 C3'-C2'-C1' 99.224 -2.483 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.215 0 C3'-C2'-C1' 99.055 -2.604 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.421 ' C4 ' ' C5 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.746 0 C3'-C2'-C1' 98.642 -2.899 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.466 ' N4 ' ' O6 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 O4'-C1'-C2' 103.744 -2.142 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.698 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.5 -1.476 0 C3'-C2'-C1' 99.126 -2.553 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.725 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.495 -1.829 0 C3'-C2'-C1' 99.707 -2.138 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.462 ' OP2' HD22 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.421 -1.162 0 C5'-C4'-C3' 118.298 2.399 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.491 ' H73' ' CB ' ' B' ' 21' ' ' SER . . . . . . . . 0 P--O3' 1.596 -0.924 0 C3'-C2'-C1' 100.048 -1.894 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.053 0 C3'-C2'-C1' 100.146 -1.824 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.431 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.421 -1.217 0 O4'-C1'-C2' 104.094 -1.824 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.431 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 C3'-C2'-C1' 99.671 -2.164 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.475 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.504 -1.193 0 O4'-C1'-C2' 103.988 -1.92 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.688 0 C3'-C2'-C1' 99.634 -2.19 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.961 0 C3'-C2'-C1' 99.686 -2.153 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.411 ' C6 ' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.06 0 C3'-C2'-C1' 99.408 -2.352 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.411 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.825 0 C3'-C2'-C1' 99.666 -2.167 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . 0.406 " H1'" " H5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 100.803 -1.355 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.406 " H5'" " H1'" ' D' ' -1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O4'-C1'-C2' 107.096 0.905 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.606 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 107.341 1.128 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.606 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C3'-C2'-C1' 104.764 1.474 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.476 ' H71' ' CZ ' ' B' ' 22' ' ' ARG . . . . . . . . 0 O4'--C1' 1.408 -0.951 0 C3'-C2'-C1' 104.886 1.561 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.623 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 C5'-C4'-C3' 115.819 0.746 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.623 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-C2' 107.278 1.071 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.46 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 P--O3' 1.614 0.552 0 C4'-C3'-C2' 104.592 1.392 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.503 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O4'-C1'-C2' 107.713 1.466 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.503 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C5'-C4'-O4' 108.026 -0.859 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.494 H2'' H5'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.419 -1.34 0 N19-C1'-C2' 115.652 0.907 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.494 H5'' H2'' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 C3'-C2'-C1' 105.726 2.161 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.616 ' P ' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.506 -1.044 0 C3'-C2'-C1' 101.795 -0.646 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.618 " H5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 C2'--C1' 1.504 -1.196 0 C5'-C4'-C3' 117.173 1.649 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.481 ' H72' ' C6 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 C1'-O4'-C4' 111.219 1.085 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.51 ' H41' ' CD ' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C5'-C4'-C3' 117.308 1.739 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.481 " H5'" " H1'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.745 0 C2'-C3'-O3' 112.241 0.608 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.407 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 C5'-C4'-O4' 107.56 -1.15 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.445 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O4'-C1'-C2' 107.42 1.2 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.523 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.961 0 C5'-C4'-C3' 116.571 1.247 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.523 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 P--O3' 1.596 -0.922 0 C3'-C2'-C1' 104.764 1.474 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.503 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 0.964 0 C4'-C3'-C2' 104.454 1.254 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . 0.503 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.52 -0.756 0 O4'-C1'-C2' 107.167 0.97 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mpt? . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.539 0.209 . . . . 6.94 110.764 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.512 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 23.7 ttpt -175.6 -58.59 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.848 -0.615 . . . . 5.85 109.772 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.512 ' HD3' ' HB3' ' A' ' 2' ' ' LYS . 31.5 Cg_endo -94.34 148.05 1.91 Allowed 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 121.97 1.78 . . . . 1.9 111.249 178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.667 HG11 ' HG ' ' A' ' 45' ' ' LEU . 19.4 t -51.57 162.38 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 108.304 -0.998 . . . . 0.99 108.304 176.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 9' ' ' VAL . 5.8 p -126.92 171.32 11.39 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 121.587 0.708 . . . . 0.72 110.669 -174.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -61.99 -21.64 65.01 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 114.947 -1.024 . . . . 0.66 109.51 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -77.44 -35.3 54.11 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.231 -0.44 . . . . 0.68 110.965 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.602 ' HB2' HG13 ' A' ' 4' ' ' VAL . 4.4 m-20 -65.77 -43.27 89.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 107.444 -1.317 . . . . 1.86 107.444 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 5' ' ' THR . 21.6 t -61.87 -46.44 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 113.218 -1.81 . . . . 0.66 109.736 178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -59.43 -35.64 74.4 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.082 -0.963 . . . . 0.65 111.016 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -71.71 -46.55 58.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.347 0.594 . . . . 2.41 110.234 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.721 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.3 t80 -64.43 -37.44 87.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 122.141 0.972 . . . . 1.68 110.457 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' O ' ' HD2' ' A' ' 37' ' ' LYS . . . -87.39 -15.19 38.53 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 114.519 -1.218 . . . . 0.71 110.681 -177.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.85 48.0 57.45 Favored Glycine 0 N--CA 1.437 -1.24 0 N-CA-C 111.117 -0.793 . . . . 0.68 111.117 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 27.2 m -135.57 -170.93 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.149 0 CA-C-N 114.825 -0.688 . . . . 0.62 109.164 -178.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.42 ' OG ' " H2'" ' C' ' 5' ' ' ' DG' . 66.7 m -95.78 163.91 12.97 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 107.731 -1.211 . . . . 1.03 107.731 177.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.482 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 48.2 p90 -67.0 -35.17 79.35 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.26 -0.976 . . . . 1.38 109.792 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.566 ' HB3' ' H71' ' C' ' 6' ' ' ' DT' . 3.8 tp60 -63.27 -32.85 74.36 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.416 -0.586 . . . . 2.08 109.416 177.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.508 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 21.5 m -60.83 -46.59 89.95 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.259 0.552 . . . . 0.61 110.214 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.547 ' O ' HG23 ' A' ' 24' ' ' VAL . 25.3 t -56.81 -47.58 82.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-N 115.424 -0.807 . . . . 0.65 110.504 178.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 25' ' ' ASN . 12.1 m -66.3 -21.78 66.27 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.211 -0.45 . . . . 1.22 110.594 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' A' ' 19' ' ' THR . 32.5 mmt180 -68.11 -37.55 81.29 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.871 -0.418 . . . . 2.65 109.871 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.411 ' HA ' ' HB2' ' A' ' 27' ' ' ALA . 59.6 t -86.99 -43.1 15.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 112.655 0.613 . . . . 0.92 112.655 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.7 t -61.98 -44.59 99.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.747 -0.66 . . . . 0.94 111.307 -178.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.542 ' HB2' ' O ' ' A' ' 21' ' ' SER . 5.1 m-80 -70.63 -40.28 73.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.329 -0.85 . . . . 1.24 113.138 -177.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -160.42 -59.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.928 0.714 . . . . 4.46 112.928 -177.24 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 26' ' ' GLN . . . 86.76 131.64 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 124.722 1.209 . . . . 2.66 109.764 -178.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.7 t -168.48 -88.29 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.121 -1.066 . . . . 2.08 108.121 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.512 ' HB3' ' H71' ' C' ' 3' ' ' ' DT' . 11.4 m170 -70.16 49.78 0.11 Allowed 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.256 1.022 . . . . 1.63 111.294 176.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.74 126.15 37.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.852 0 N-CA-C 107.375 -1.342 . . . . 1.05 107.375 178.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.63 141.11 57.92 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 120.424 -0.51 . . . . 1.29 109.936 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.53 -36.52 45.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 1.09 111.009 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -51.52 -42.18 61.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.467 -0.788 . . . . 3.08 110.795 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -86.93 -45.84 10.44 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.025 -0.989 . . . . 0.98 112.627 -178.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -51.75 -45.38 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.573 0.583 . . . . 3.63 112.573 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -77.03 -17.69 58.64 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.906 -0.588 . . . . 1.72 111.09 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HD2' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -88.57 -28.77 20.5 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.68 -0.691 . . . . 1.44 110.448 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 34' ' ' THR . 98.4 t -78.42 -45.5 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-O 121.32 0.581 . . . . 0.68 109.534 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -64.0 -23.39 67.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.272 -0.877 . . . . 1.7 109.785 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -79.36 -33.44 42.93 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.354 -0.839 . . . . 0.78 109.889 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 12' ' ' TYR . . . -65.83 -42.71 90.24 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.042 -0.981 . . . . 0.79 110.285 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.413 ' HE3' HG12 ' A' ' 38' ' ' VAL . 24.5 mtt -60.47 -23.33 64.38 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 123.77 0.669 . . . . 0.87 112.565 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.55 -30.48 29.66 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.911 -0.774 . . . . 0.93 108.911 -178.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 28.1 mm-40 -69.08 -62.65 1.29 Allowed 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.751 -1.113 . . . . 1.55 112.549 -178.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.754 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -80.61 -7.82 59.4 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.478 -0.783 . . . . 1.79 111.683 -179.347 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 67.12 68.89 0.39 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.518 0.675 . . . . 2.2 111.26 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.593 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.7 t80 -83.82 128.96 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.22 -0.9 . . . . 1.38 111.83 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.3 mp -111.53 109.41 55.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.959 -0.756 . . . . 1.39 108.959 178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -62.39 117.84 4.71 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.322 2.015 . . . . 0.78 112.965 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 m-80 -78.37 99.57 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.69 111.913 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -8.18 26.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.142 0.496 . . . . 4.2 110.132 178.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.0 OUTLIER -83.64 -35.04 24.9 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.64 -0.504 . . . . 0.7 109.64 -179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.714 ' HB3' " C5'" ' D' ' 13' ' ' ' DC' . . . -80.28 -30.87 38.36 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.216 0.532 . . . . 0.53 109.81 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -62.63 -41.07 98.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.685 -1.143 . . . . 1.67 108.387 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -68.62 -26.39 65.33 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.041 -0.981 . . . . 2.66 110.545 178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.707 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 4.1 tp -73.89 -48.91 27.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.364 0.602 . . . . 0.61 110.322 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.72 -20.22 66.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.391 -0.822 . . . . 0.85 112.649 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -170.14 68.36 0.15 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.002 -1.094 . . . . 1.86 112.899 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.445 ' NZ ' ' HA ' ' A' ' 62' ' ' LEU . 20.6 tttm -59.35 101.35 0.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.206 0.527 . . . . 6.17 111.081 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 71.2 mm-40 -89.67 -16.94 29.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.503 -0.771 . . . . 6.76 110.115 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.8 p -157.43 175.26 14.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.391 -0.822 . . . . 7.52 110.027 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.445 ' HA ' ' NZ ' ' A' ' 59' ' ' LYS . 33.0 tp . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.45 -0.786 . . . . 9.27 111.365 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 109.552 -0.536 . . . . 6.54 109.552 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -126.22 110.44 23.95 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.347 -0.388 . . . . 5.5 110.773 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -76.06 114.0 3.82 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 121.925 1.75 . . . . 1.75 112.031 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.713 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 6.2 t -109.68 177.37 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 114.642 -1.163 . . . . 0.83 108.477 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.759 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 10.9 p -137.14 158.75 43.75 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 118.987 -0.53 . . . . 0.68 110.235 -178.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.633 ' HG ' HG11 ' B' ' 20' ' ' VAL . 0.9 OUTLIER -53.94 -31.08 49.22 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 124.631 1.207 . . . . 0.66 110.438 177.557 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.609 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 15.2 m-85 -68.33 -40.01 81.73 Favored 'General case' 0 N--CA 1.446 -0.671 0 O-C-N 123.495 0.497 . . . . 1.22 111.022 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.427 ' HB2' HG12 ' B' ' 4' ' ' VAL . 13.7 m-20 -62.95 -36.96 85.2 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.807 -0.812 . . . . 1.45 108.807 178.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.29 -44.4 97.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.243 -0.89 . . . . 0.55 109.514 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.472 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -55.9 -58.61 7.17 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.721 -0.672 . . . . 0.63 111.337 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.97 -41.06 82.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.777 0.658 . . . . 2.46 112.777 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -67.67 -49.39 63.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.956 0.408 . . . . 1.39 111.434 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.09 -24.86 66.78 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 112.382 0.512 . . . . 0.69 112.382 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.0 46.42 5.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 119.981 -1.104 . . . . 1.09 111.572 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 29.3 m -142.54 169.76 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 N-CA-C 109.042 -0.725 . . . . 0.62 109.042 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 66.5 m -72.51 158.07 36.41 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 108.129 -1.063 . . . . 1.31 108.129 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.487 ' CE1' ' H72' ' C' ' 14' ' ' ' DT' . 0.0 OUTLIER -61.88 -45.72 92.52 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 110.298 -0.26 . . . . 1.58 110.298 -178.758 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -56.08 -34.18 65.74 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.157 0.503 . . . . 0.89 110.87 176.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.6 m -55.43 -37.56 67.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.126 -0.943 . . . . 0.64 109.916 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.633 HG11 ' HG ' ' B' ' 6' ' ' LEU . 16.8 t -68.6 -50.09 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.114 -0.948 . . . . 1.17 110.437 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.553 ' CB ' ' H73' ' C' ' 14' ' ' ' DT' . 40.4 m -56.79 -45.19 82.33 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.165 -1.05 . . . . 1.13 108.165 177.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -48.92 -40.27 29.43 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 113.851 -1.522 . . . . 2.87 112.026 178.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.16 -43.8 43.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.425 0.631 . . . . 0.86 110.16 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 20' ' ' VAL . 50.7 t -57.29 -50.99 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-N 115.03 -0.986 . . . . 1.03 112.137 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -66.28 -79.47 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 122.126 0.965 . . . . 1.25 111.223 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -168.81 85.96 0.17 Allowed 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 113.933 -1.485 . . . . 3.75 109.448 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.81 141.69 26.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 2.36 110.843 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 29.1 t -137.33 -71.46 0.44 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.564 -0.902 . . . . 1.96 108.564 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -81.43 47.32 1.03 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.295 -0.866 . . . . 1.34 109.315 177.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -130.54 148.43 33.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.825 0.345 . . . . 1.1 111.053 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.36 143.03 30.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.918 -0.583 . . . . 0.98 109.515 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.18 -45.02 68.35 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.316 0.385 . . . . 1.12 111.426 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' B' ' 34' ' ' THR . 7.3 ttpp -51.76 -56.85 11.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.964 -0.562 . . . . 3.25 110.816 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.459 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.4 OUTLIER -62.01 -35.72 79.38 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.898 -0.592 . . . . 0.77 112.002 -179.769 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -64.32 -48.34 75.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.8 -0.636 . . . . 3.59 111.161 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -72.04 -28.06 63.12 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.88 -0.6 . . . . 1.96 110.959 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -66.31 -41.24 89.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.92 0.391 . . . . 1.91 110.561 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 34' ' ' THR . 99.7 t -65.63 -42.57 93.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.142 -0.481 . . . . 0.62 110.504 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' B' ' 42' ' ' MET . 8.8 mt-10 -69.72 -32.18 70.6 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.534 -0.467 . . . . 1.68 110.946 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.8 -39.58 87.81 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.342 0.591 . . . . 0.77 109.604 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.412 ' O ' HD12 ' B' ' 45' ' ' LEU . . . -60.13 -30.95 69.63 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.651 -0.704 . . . . 0.65 110.179 178.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.426 ' HB2' ' O ' ' B' ' 39' ' ' GLU . 45.2 mtt -63.14 -21.69 66.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.054 -0.975 . . . . 0.71 110.022 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.59 -47.63 7.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.744 -0.662 . . . . 0.9 110.639 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -50.66 -60.4 3.07 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.855 0.836 . . . . 1.58 112.252 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.5 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -80.4 -1.17 40.21 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 113.981 -1.463 . . . . 1.14 112.34 -177.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.09 47.43 11.92 Favored 'General case' 0 N--CA 1.461 0.116 0 N-CA-C 109.599 -0.519 . . . . 1.24 109.599 -176.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.713 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.7 t80 -59.71 121.82 12.6 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 116.015 -0.539 . . . . 1.46 110.351 -178.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.5 mm -128.66 103.51 19.44 Favored Pre-proline 0 N--CA 1.438 -1.03 0 N-CA-C 103.695 -2.706 . . . . 1.34 103.695 178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.439 ' HB3' ' CD ' ' B' ' 54' ' ' GLN . 0.5 OUTLIER -30.73 122.48 0.07 OUTLIER 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 124.871 3.714 . . . . 0.72 114.391 -177.453 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.446 HD22 " C5'" ' C' ' 12' ' ' ' DG' . 34.5 t-20 -56.49 91.66 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 115.364 -0.835 . . . . 0.85 110.962 -178.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -49.43 -34.65 17.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.393 -0.821 . . . . 4.55 112.791 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 56.6 m -66.95 -62.93 1.19 Allowed 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.187 0.518 . . . . 0.73 111.645 -178.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.4 -31.39 67.22 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.592 -0.731 . . . . 0.64 112.475 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.439 ' CD ' ' HB3' ' B' ' 49' ' ' PRO . 5.7 mt-30 -64.48 -34.24 77.76 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.653 -0.419 . . . . 1.04 110.824 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -46.71 78.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.094 -1.076 . . . . 2.45 108.094 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 53' ' ' ALA . 4.8 mp -57.43 -50.81 71.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.191 -1.368 . . . . 0.65 111.102 178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.33 -5.39 35.91 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.369 -0.378 . . . . 1.07 111.605 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.46 18.05 75.05 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 121.151 -0.547 . . . . 1.6 112.72 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mttm 54.39 -111.91 0.66 Allowed 'General case' 0 C--N 1.333 -0.137 0 O-C-N 123.881 0.4 . . . . 5.04 110.52 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -101.57 109.65 21.49 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.434 -0.506 . . . . 6.57 110.467 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 5.8 m -66.29 -33.77 76.49 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.848 -0.615 . . . . 6.55 110.828 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 8.0 tp . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.439 -0.791 . . . . 8.33 110.158 178.777 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . 0.473 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.5 -1.487 0 C3'-C2'-C1' 99.513 -2.277 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.473 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.102 0 C3'-C2'-C1' 99.223 -2.484 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.477 ' C8 ' ' H71' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 C3'-C2'-C1' 98.627 -2.91 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.512 ' H71' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 C2'--C1' 1.509 -0.869 0 C3'-C2'-C1' 99.929 -1.979 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.501 ' H72' ' C6 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 C3'-C2'-C1' 99.467 -2.31 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.459 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.074 0 C3'-C2'-C1' 100.008 -1.923 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.566 ' H71' ' HB3' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-C2' 103.606 -2.267 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C3'-C2'-C1' 99.574 -2.233 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 C3'-C2'-C1' 99.579 -2.229 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C3'-C2'-C1' 99.228 -2.48 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.008 0 C5'-C4'-C3' 117.501 1.867 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.707 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.497 -1.729 0 C3'-C2'-C1' 98.501 -2.999 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.759 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.582 -2.045 0 C3'-C2'-C1' 99.76 -2.1 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.607 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 C5'-C4'-C3' 118.172 2.315 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.553 ' H73' ' CB ' ' B' ' 21' ' ' SER . . . . . . . . 0 C2'--C1' 1.512 -0.66 0 O4'-C1'-C2' 104.098 -1.82 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.502 -1.358 0 C3'-C2'-C1' 100.14 -1.829 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.169 0 C3'-C2'-C1' 100.156 -1.817 . . . . 0.86 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.502 -1.378 0 C3'-C2'-C1' 99.918 -1.987 . . . . 0.93 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.533 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.003 0 C3'-C2'-C1' 99.954 -1.961 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.411 ' C8 ' ' C7 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.725 0 C3'-C2'-C1' 99.732 -2.12 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.411 ' C7 ' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 O4'-C1'-C2' 103.829 -2.065 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.142 0 C3'-C2'-C1' 99.226 -2.481 . . . . 1.84 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.853 0 C3'-C2'-C1' 99.552 -2.249 . . . . 2.17 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . 0.448 " H1'" " H5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.98 0 C4'-C3'-C2' 102.59 -0.61 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.448 " H5'" " H1'" ' D' ' -1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.64 0 C4'-C3'-C2' 102.715 -0.485 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.596 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-C2' 107.513 1.285 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.596 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.738 0 O4'-C1'-C2' 107.19 0.991 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.542 ' H72' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-C1' 105.285 1.847 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.533 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 P--O3' 1.62 1.118 0 C5'-C4'-C3' 116.834 1.423 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.5 " H1'" " H5'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-C2' 107.334 1.122 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.5 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C3'-C2'-C1' 104.56 1.328 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.524 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C3'-C2'-C1' 104.416 1.226 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.524 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-N19 108.323 0.654 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.405 ' OP2' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 N19-C1'-C2' 115.667 0.917 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.402 ' O2 ' ' HB3' ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 102.318 -0.882 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.496 " H3'" ' HB ' ' A' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 C4'-C3'-C2' 101.794 -1.406 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.714 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.422 -1.107 0 C3'-C2'-C1' 104.754 1.467 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.462 H2'' ' OP2' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C1'-O4'-C4' 110.924 0.874 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.462 ' OP2' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 P--O3' 1.62 1.118 0 O4'-C1'-C2' 107.449 1.226 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.515 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C5'-C4'-C3' 116.303 1.069 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.515 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 P--O3' 1.62 1.057 0 OP2-P-O3' 111.134 0.886 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.479 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-C2' 107.011 0.828 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.479 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C5'-C4'-O4' 108.184 -0.76 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.463 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C4'-C3'-C2' 104.061 0.861 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.501 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C1'-O4'-C4' 111.039 0.956 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . 0.501 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 C4'-C3'-C2' 102.457 -0.743 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.4 ttp . . . . . 0 N--CA 1.484 1.259 0 CA-C-O 121.06 0.457 . . . . 6.94 110.45 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -139.19 118.69 9.26 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.249 -0.432 . . . . 5.85 110.46 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -76.05 111.69 3.33 Favored 'Trans proline' 0 N--CA 1.448 -1.148 0 C-N-CA 121.825 1.683 . . . . 1.9 108.845 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.675 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 69.0 t -116.75 176.32 2.65 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 115.501 -0.772 . . . . 0.99 109.827 -176.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 9' ' ' VAL . 26.8 p -133.25 164.53 26.87 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.078 -0.712 . . . . 0.72 109.078 -178.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.19 -16.62 62.33 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.091 0.472 . . . . 0.66 110.798 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -78.42 -39.58 38.4 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.639 -0.709 . . . . 0.68 110.331 178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.22 -35.2 79.8 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.843 0.83 . . . . 1.86 109.511 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 5' ' ' THR . 24.0 t -67.02 -42.84 89.09 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 113.417 -1.72 . . . . 0.66 108.816 177.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -62.49 -41.41 98.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.326 -0.852 . . . . 0.65 110.933 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -64.87 -51.86 59.73 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.786 -0.643 . . . . 2.41 111.315 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 61.4 t80 -69.28 -24.1 63.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.46 -0.336 . . . . 1.68 111.286 -178.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.513 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -86.57 -25.69 24.87 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-O 121.304 0.573 . . . . 0.71 109.807 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.48 40.3 13.26 Favored Glycine 0 CA--C 1.503 -0.708 0 N-CA-C 110.042 -1.223 . . . . 0.68 110.042 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.4 m -133.22 -176.95 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 114.79 -0.705 . . . . 0.62 109.905 -177.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.5 m -91.05 154.43 19.41 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 108.435 -0.95 . . . . 1.03 108.435 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.454 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 17.7 p90 -55.66 -41.79 74.15 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 119.676 -0.81 . . . . 1.38 110.833 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.54 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -62.96 -24.62 67.97 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.322 -0.399 . . . . 2.08 110.981 177.218 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 23' ' ' VAL . 28.5 m -67.84 -40.66 83.7 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 108.455 -0.942 . . . . 0.61 108.455 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 24' ' ' VAL . 78.3 t -64.66 -54.05 34.9 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 CA-C-N 114.546 -1.206 . . . . 0.65 110.99 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.6 t -60.34 -27.89 67.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.354 -0.839 . . . . 1.22 110.844 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 4.4 ttp180 -73.15 -27.53 61.71 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.242 -0.651 . . . . 2.65 109.242 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 19' ' ' THR . 53.1 t -82.39 -40.67 17.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.435 -0.802 . . . . 0.92 110.204 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 20' ' ' VAL . 12.3 t -66.65 -55.74 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.634 -0.712 . . . . 0.94 112.359 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.539 HD21 ' P ' ' D' ' 14' ' ' ' DT' . 27.4 m-20 -77.81 -26.08 49.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 113.874 1.064 . . . . 1.24 113.874 -176.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 33.3 mt-30 -137.34 -113.39 0.17 Allowed 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 119.806 -0.757 . . . . 4.46 111.233 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 156.73 -32.67 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 107.581 -1.266 . . . . 2.66 107.581 -177.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.8 p -69.33 152.8 44.55 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.353 -1.294 . . . . 2.08 108.085 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.582 ' HB3' ' C7 ' ' C' ' 4' ' ' ' DT' . 2.1 m-70 69.42 23.83 5.97 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.494 -0.928 . . . . 1.63 108.494 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.9 t -144.18 136.78 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 114.601 -1.182 . . . . 1.05 109.037 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.447 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 58.3 m -73.95 145.32 44.78 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.422 -1.263 . . . . 1.29 109.55 178.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.585 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -55.97 -39.25 71.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.435 -0.348 . . . . 1.09 110.503 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.401 ' HG3' ' H ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -57.57 -41.53 81.26 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.286 0.565 . . . . 3.08 110.772 179.526 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.568 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -75.45 -41.24 56.21 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 112.679 0.622 . . . . 0.98 112.679 -179.356 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.403 ' NH1' ' HG2' ' A' ' 36' ' ' GLU . 0.6 OUTLIER -56.35 -48.64 76.36 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.117 0.414 . . . . 3.63 112.117 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.585 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 2.5 mt-10 -70.51 -30.61 67.42 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.807 -0.633 . . . . 1.72 111.965 -177.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 11.5 ptpt -79.4 -25.62 42.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.293 0.568 . . . . 1.44 110.369 -177.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.681 HG11 ' HA ' ' A' ' 20' ' ' VAL . 69.1 t -83.41 -40.69 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.465 -0.789 . . . . 0.68 109.358 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -65.38 -27.13 68.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.433 -0.803 . . . . 1.7 109.699 179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.605 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.72 -38.47 62.29 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.718 -0.674 . . . . 0.78 110.385 178.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.12 91.37 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.937 -0.574 . . . . 0.79 110.817 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.491 ' HE3' HG12 ' A' ' 38' ' ' VAL . 30.7 mtt -61.26 -30.53 70.52 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.887 -0.597 . . . . 0.87 111.515 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.18 -35.91 30.82 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.668 0.746 . . . . 0.93 109.71 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 25.9 mm-40 -61.61 -59.34 5.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.52 -1.218 . . . . 1.55 111.523 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -82.1 -12.59 58.14 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 113.778 -1.556 . . . . 1.79 113.077 -178.421 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 68.47 63.54 0.34 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.485 0.659 . . . . 2.2 110.487 -177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.675 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 9.4 t80 -83.69 124.42 30.83 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.804 -0.635 . . . . 1.38 110.667 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.57 112.51 51.25 Favored Pre-proline 0 N--CA 1.449 -0.509 0 N-CA-C 109.728 -0.471 . . . . 1.39 109.728 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -53.5 114.88 1.96 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.709 2.273 . . . . 0.78 111.951 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.577 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 35.3 m-20 -73.06 100.74 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.466 -0.788 . . . . 0.69 111.262 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.641 ' HD3' ' OE1' ' A' ' 54' ' ' GLN . 32.2 mmt180 -58.98 -31.67 68.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.908 -1.042 . . . . 4.2 112.139 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -72.54 -40.82 66.44 Favored 'General case' 0 CA--C 1.514 -0.441 0 N-CA-C 109.736 -0.468 . . . . 0.7 109.736 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.563 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -63.87 -47.0 82.43 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.84 -0.8 . . . . 0.53 108.84 178.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.641 ' OE1' ' HD3' ' A' ' 51' ' ' ARG . 53.9 mt-30 -56.22 -47.86 77.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.27 -0.877 . . . . 1.67 109.938 177.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -61.05 -32.86 72.48 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.154 -0.475 . . . . 2.66 110.929 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.786 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 9.1 tp -72.25 -52.97 13.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.094 -0.503 . . . . 0.61 111.771 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.23 -17.54 60.31 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.617 0.599 . . . . 0.85 112.617 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.465 ' C ' ' HE3' ' A' ' 59' ' ' LYS . . . 170.08 -117.29 0.69 Allowed Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.239 -0.981 . . . . 1.86 113.079 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HE3' ' C ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -122.86 153.64 39.36 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.496 -0.414 . . . . 6.17 110.33 -179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.47 -34.44 78.28 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.245 0.461 . . . . 6.76 112.245 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 m 60.59 -83.77 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.416 0.686 . . . . 7.52 111.66 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 mt . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.371 -0.823 . . . . 9.27 110.726 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 57.0 tpp . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.967 0.413 . . . . 6.54 111.07 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -97.64 113.33 63.36 Favored Pre-proline 0 N--CA 1.447 -0.611 0 CA-C-N 116.313 -0.403 . . . . 5.5 110.191 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -78.33 113.09 3.31 Favored 'Trans proline' 0 N--CA 1.452 -0.969 0 C-N-CA 121.875 1.717 . . . . 1.75 110.372 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.666 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 86.6 t -114.93 163.62 12.05 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 CA-C-N 115.558 -0.746 . . . . 0.83 109.752 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.516 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 17.2 p -128.47 154.96 45.54 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.211 -0.662 . . . . 0.68 109.211 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.44 HD11 HG12 ' B' ' 20' ' ' VAL . 2.0 tt -54.08 -24.88 19.07 Favored 'General case' 0 N--CA 1.445 -0.694 0 O-C-N 121.785 -0.572 . . . . 0.66 111.842 176.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.479 ' CE2' " H2'" ' C' ' 12' ' ' ' DG' . 41.0 m-85 -64.06 -35.63 81.38 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 115.05 -0.977 . . . . 1.22 110.387 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.55 -36.73 76.61 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.274 -0.876 . . . . 1.45 109.781 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.543 ' HA ' HD23 ' B' ' 45' ' ' LEU . 47.3 t -68.22 -48.38 73.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.395 -0.821 . . . . 0.55 110.622 -178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.41 -52.65 62.86 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.548 0.69 . . . . 0.63 110.643 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.48 -55.21 34.46 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.624 -1.171 . . . . 2.46 111.343 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.566 ' CB ' HD21 ' B' ' 45' ' ' LEU . 39.6 t80 -55.05 -51.54 66.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.228 -0.896 . . . . 1.39 113.05 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.868 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -66.82 -21.1 66.04 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.518 0.562 . . . . 0.69 112.518 -178.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.14 43.78 7.36 Favored Glycine 0 N--CA 1.437 -1.293 0 C-N-CA 120.581 -0.819 . . . . 1.09 111.615 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.412 ' HB ' HG21 ' B' ' 19' ' ' THR . 17.2 m -137.32 166.25 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.229 0 N-CA-C 108.191 -1.04 . . . . 0.62 108.191 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 63.9 m -78.98 166.37 22.43 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 119.674 -0.81 . . . . 1.31 110.647 178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.47 ' CE1' ' CE1' ' B' ' 7' ' ' TYR . 19.8 t80 -52.65 -54.6 31.11 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 124.161 0.984 . . . . 1.58 111.186 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 44.5 tp60 -57.41 -31.17 65.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.986 -1.006 . . . . 0.89 112.116 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.412 HG21 ' HB ' ' B' ' 15' ' ' VAL . 2.6 m -59.22 -46.36 88.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.189 0.995 . . . . 0.64 109.778 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.44 HG12 HD11 ' B' ' 6' ' ' LEU . 58.5 t -72.9 -48.84 43.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 113.847 -1.524 . . . . 1.17 110.606 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.493 ' CB ' ' H73' ' C' ' 14' ' ' ' DT' . 15.9 m -61.29 -18.67 59.66 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 113.345 0.869 . . . . 1.13 113.345 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -92.1 -20.36 21.35 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 121.049 1.75 . . . . 2.87 107.749 -177.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.4 HG23 ' O ' ' B' ' 19' ' ' THR . 53.0 t -75.72 -38.65 38.0 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 N-CA-C 108.333 -0.988 . . . . 0.86 108.333 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.09 -27.93 42.29 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 CA-C-N 114.899 -1.046 . . . . 1.03 108.457 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.544 ' HA ' HE22 ' B' ' 60' ' ' GLN . 9.0 m-80 -83.65 -16.2 45.99 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.991 -0.549 . . . . 1.25 110.237 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 67.81 32.81 5.11 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.483 -0.78 . . . . 3.75 109.973 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.94 173.42 12.18 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.753 -0.658 . . . . 2.36 111.438 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 3.9 p -95.72 -179.09 4.61 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.899 -0.591 . . . . 1.96 110.429 179.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.437 ' HA ' ' OP2' ' D' ' 3' ' ' ' DT' . 18.5 m170 69.33 43.29 1.08 Allowed 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 123.224 0.609 . . . . 1.34 111.074 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 57.4 t -137.5 132.96 45.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.612 -0.722 . . . . 1.1 109.092 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.648 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 70.1 m -70.13 152.49 44.26 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.928 -0.578 . . . . 0.98 110.56 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.1 73.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 1.12 111.234 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 ttpt -53.75 -54.16 42.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.17 0.509 . . . . 3.25 110.99 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.648 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.3 OUTLIER -54.0 -38.85 65.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.405 -0.816 . . . . 0.77 112.539 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -65.54 -48.76 71.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.118 0.485 . . . . 3.59 110.468 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.13 -32.25 72.4 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.908 -1.042 . . . . 1.96 111.657 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.868 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 12.5 tppt? -62.12 -40.28 95.37 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.749 -0.66 . . . . 1.91 110.241 179.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' ' 34' ' ' THR . 59.7 t -73.03 -38.36 55.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.376 -0.829 . . . . 0.62 111.233 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -64.95 -33.91 77.16 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.425 0.631 . . . . 1.68 109.746 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.77 47.8 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.226 -0.897 . . . . 0.77 110.631 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.429 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -55.0 -29.32 57.08 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.041 -0.981 . . . . 0.65 113.248 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.505 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 58.4 mtt -65.0 -21.85 66.91 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.662 -0.699 . . . . 0.71 109.879 -179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.63 -49.71 7.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.351 -0.841 . . . . 0.9 110.712 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.24 -53.26 60.33 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.644 0.735 . . . . 1.58 112.06 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.571 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -67.67 -19.43 65.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.315 -0.857 . . . . 1.14 111.386 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.544 ' O ' HG12 ' B' ' 48' ' ' ILE . 1.0 OUTLIER 65.84 43.54 3.08 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.047 -1.464 . . . . 1.24 107.047 -176.006 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.666 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.0 t80 -51.49 121.07 5.79 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 114.376 -1.284 . . . . 1.46 110.353 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.544 HG12 ' O ' ' B' ' 46' ' ' ASN . 34.1 mm -134.41 93.92 18.26 Favored Pre-proline 0 N--CA 1.435 -1.177 0 N-CA-C 103.864 -2.643 . . . . 1.34 103.864 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.413 ' HB3' ' CD ' ' B' ' 54' ' ' GLN . 1.0 OUTLIER -29.56 124.78 0.06 OUTLIER 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 124.842 3.695 . . . . 0.72 115.511 -176.512 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.47 HD22 " H5'" ' C' ' 12' ' ' ' DG' . 47.4 t-20 -59.41 85.01 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.565 -0.743 . . . . 0.85 109.683 178.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -53.42 -21.74 6.52 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.481 0.919 . . . . 4.55 113.481 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.72 -62.1 1.57 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.339 0.59 . . . . 0.73 109.979 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.15 84.69 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.588 -0.733 . . . . 0.64 110.439 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.413 ' CD ' ' HB3' ' B' ' 49' ' ' PRO . 6.8 mt-30 -63.46 -29.24 70.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.251 -0.886 . . . . 1.04 112.093 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -82.45 -21.26 35.7 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 108.921 -0.77 . . . . 2.45 108.921 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.49 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.7 tp -81.99 -40.48 22.09 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.263 -0.881 . . . . 0.65 109.785 178.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.55 -4.31 58.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.588 -0.278 . . . . 1.07 111.05 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.09 -11.47 35.88 Favored Glycine 0 C--N 1.335 0.505 0 CA-C-O 119.439 -0.645 . . . . 1.6 114.023 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 53.1 tttt 64.67 -83.5 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 117.387 0.594 . . . . 5.04 110.897 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.544 HE22 ' HA ' ' B' ' 25' ' ' ASN . 36.1 mt-30 -146.93 -65.48 0.28 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.252 0.549 . . . . 6.57 110.399 -179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 67.5 m -146.62 -42.27 0.19 Allowed 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.879 -0.6 . . . . 6.55 110.442 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.5 tp . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.682 -0.675 . . . . 8.33 109.787 179.157 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.496 -1.765 0 C3'-C2'-C1' 99.305 -2.425 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.278 0 C3'-C2'-C1' 98.99 -2.65 . . . . 2.25 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.411 " C2'" ' H71' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.557 0 O4'-C1'-C2' 103.752 -2.135 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.424 " H1'" " H5'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 103.597 -2.275 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.582 ' C7 ' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C3'-C2'-C1' 99.79 -2.079 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.61 " C2'" ' H71' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.923 0 O4'-C1'-C2' 103.85 -2.045 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.61 ' H71' " C2'" ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.858 0 C3'-C2'-C1' 99.492 -2.292 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . 0.483 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.846 0 C3'-C2'-C1' 99.377 -2.374 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.483 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.455 0.785 0 C3'-C2'-C1' 99.499 -2.287 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.412 -0.626 0 C3'-C2'-C1' 98.506 -2.995 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.589 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.452 0.574 0 O4'-C1'-C2' 103.683 -2.197 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.786 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.502 -1.339 0 C3'-C2'-C1' 99.561 -2.242 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.516 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.497 -1.686 0 O4'-C1'-C2' 104.035 -1.878 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.428 ' OP2' HD22 ' B' ' 6' ' ' LEU . . . . . . . . 0 P--O3' 1.591 -1.329 0 C5'-C4'-C3' 118.107 2.272 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.493 ' H73' ' CB ' ' B' ' 21' ' ' SER . . . . . . . . 0 P--O3' 1.598 -0.713 0 C5'-C4'-C3' 117.59 1.926 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.921 0 O4'-C1'-C2' 103.971 -1.935 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.511 -0.711 0 C3'-C2'-C1' 99.717 -2.13 . . . . 0.86 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.207 0 C3'-C2'-C1' 99.706 -2.138 . . . . 0.93 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.523 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.504 -1.189 0 C3'-C2'-C1' 99.553 -2.248 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.83 0 O4'-C1'-C2' 103.839 -2.055 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.448 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.513 -0.556 0 C3'-C2'-C1' 99.649 -2.179 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.448 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.179 0 C3'-C2'-C1' 99.252 -2.463 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.411 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 99.465 -2.311 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.253 0 C3'-C2'-C1' 100.491 -1.578 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.621 1.181 0 C5'-C4'-C3' 116.239 1.026 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.534 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 107.402 1.183 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.534 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-C2' 106.909 0.736 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.467 " O4'" " H1'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.409 -0.864 0 C1'-O4'-C4' 107.563 -1.526 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.523 ' C2 ' ' C2 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C5'-C4'-C3' 116.652 1.301 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.464 H2'' " H5'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 107.344 1.131 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.48 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.427 1.206 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.48 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C3'-C2'-C1' 104.182 1.058 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.453 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C5'-C4'-O4' 107.733 -1.042 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.453 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.62 1.081 0 C3'-C2'-C1' 100.896 -1.288 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.44 H5'' H2'' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 104.623 1.373 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.55 ' OP1' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C3'-C2'-C1' 101.721 -0.699 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.563 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.083 0 C4'-C3'-C2' 104.749 1.549 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.539 ' P ' HD21 ' A' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C5'-C4'-O4' 107.322 -1.299 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.531 ' H41' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 P--O3' 1.619 0.99 0 O4'-C1'-C2' 107.792 1.538 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.44 " H5'" " H1'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.188 0 O4'-C1'-C2' 104.764 -1.214 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.519 0 C5'-C4'-C3' 116.182 0.988 . . . . 1.05 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.478 ' C2 ' ' C2 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-C2' 107.21 1.009 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.479 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.897 0 C3'-C2'-C1' 101.475 -0.875 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.546 " H1'" " H5'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 C5'-C4'-O4' 107.603 -1.123 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.546 " H5'" " H1'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.421 -1.195 0 C4'-C3'-C2' 101.635 -1.565 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . 0.472 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C5'-C4'-C3' 116.524 1.216 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ttt . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 120.835 0.35 . . . . 6.94 110.314 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.531 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 8.0 tmtm? -125.11 -52.16 0.03 OUTLIER Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.445 -0.343 . . . . 5.85 110.153 179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.531 ' HD3' ' HB3' ' A' ' 2' ' ' LYS . 69.3 Cg_endo -91.54 163.97 3.52 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 121.618 1.545 . . . . 1.9 112.74 178.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.588 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 48.4 t -116.36 175.75 2.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 N-CA-C 107.211 -1.403 . . . . 0.99 107.211 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 9' ' ' VAL . 19.2 p -133.35 163.07 30.16 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 109.356 -0.609 . . . . 0.72 109.356 -178.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.469 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -67.76 -17.08 64.42 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.388 -0.597 . . . . 0.66 109.388 178.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -76.49 -38.65 54.95 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.799 -0.637 . . . . 0.68 109.746 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.91 -40.95 95.06 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 122.489 1.138 . . . . 1.86 108.099 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 5' ' ' THR . 18.2 t -66.88 -45.96 86.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-N 113.259 -1.791 . . . . 0.66 110.525 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.43 -32.9 71.8 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.227 -0.897 . . . . 0.65 110.106 179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -75.89 -46.82 28.08 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.643 -0.708 . . . . 2.41 109.783 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.591 ' CD2' HD13 ' A' ' 45' ' ' LEU . 2.2 t80 -62.09 -33.32 74.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.463 -0.79 . . . . 1.68 110.997 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.16 -19.98 24.81 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.811 -1.086 . . . . 0.71 111.179 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.32 45.89 22.76 Favored Glycine 0 N--CA 1.446 -0.672 0 N-CA-C 110.448 -1.061 . . . . 0.68 110.448 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.8 m -137.64 -167.65 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 123.354 0.661 . . . . 0.62 109.813 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -102.11 156.93 17.24 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.308 -0.627 . . . . 1.03 109.308 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.469 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.4 p90 -56.17 -43.55 78.46 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.122 -0.631 . . . . 1.38 110.882 -179.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 11.7 tp60 -60.67 -26.87 67.41 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 110.344 -0.243 . . . . 2.08 110.344 176.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.2 m -65.6 -48.22 73.05 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.588 -0.893 . . . . 0.61 108.588 178.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.627 ' O ' HG23 ' A' ' 24' ' ' VAL . 69.7 t -59.83 -54.57 32.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.495 -1.23 . . . . 0.65 110.929 178.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.8 t -61.28 -23.32 65.6 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.767 0.318 . . . . 1.22 110.65 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 45.0 ttm-85 -79.78 -24.23 41.64 Favored 'General case' 0 C--O 1.21 -1.022 0 N-CA-C 109.481 -0.563 . . . . 2.65 109.481 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 19' ' ' THR . 70.1 t -85.99 -37.83 12.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.177 0.513 . . . . 0.92 110.362 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 20' ' ' VAL . 36.9 t -71.08 -49.12 51.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.408 -0.815 . . . . 0.94 112.62 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -103.85 -42.09 5.7 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 116.014 1.857 . . . . 1.24 116.014 -175.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -130.83 64.76 1.56 Allowed 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 119.766 -0.774 . . . . 4.46 112.741 -175.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.71 116.93 7.44 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-O 121.721 0.772 . . . . 2.66 111.045 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 t -164.51 -95.13 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.064 -1.425 . . . . 2.08 109.719 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.508 ' HA ' ' OP2' ' C' ' 3' ' ' ' DT' . 3.6 m-70 -65.21 53.89 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.982 0.913 . . . . 1.63 112.047 177.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.426 HG11 HG22 ' A' ' 23' ' ' VAL . 76.9 t -137.96 120.3 18.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 108.812 -0.81 . . . . 1.05 108.812 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.0 m -54.5 135.23 46.06 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.417 -0.81 . . . . 1.29 110.902 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -53.77 -37.79 63.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.973 0.416 . . . . 1.09 111.269 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -57.66 -41.33 81.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.743 -0.662 . . . . 3.08 111.789 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -84.79 -40.43 17.22 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.392 -0.367 . . . . 0.98 110.808 -179.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -52.57 -52.72 53.68 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 122.807 0.443 . . . . 3.63 111.898 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 21.5 mt-10 -72.6 -16.47 61.73 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.424 -0.807 . . . . 1.72 111.054 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -86.3 -29.4 23.07 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.258 0.551 . . . . 1.44 110.208 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.575 HG11 ' HA ' ' A' ' 20' ' ' VAL . 79.8 t -80.28 -39.54 19.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 109.358 -0.608 . . . . 0.68 109.358 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.6 -31.51 72.7 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.552 -0.749 . . . . 1.7 109.439 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -73.81 -34.74 64.73 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.167 -0.924 . . . . 0.78 109.69 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.676 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -61.75 -44.79 96.22 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.79 110.535 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.409 ' CE ' HG22 ' A' ' 24' ' ' VAL . 34.5 mtt -55.9 -32.63 63.92 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-N 115.683 -0.69 . . . . 0.87 112.209 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.97 -28.2 49.36 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.472 0.653 . . . . 0.93 110.56 -177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 24.4 mm-40 -68.79 -59.45 3.08 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.629 -1.169 . . . . 1.55 112.368 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.718 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.27 -0.73 57.76 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.898 -1.046 . . . . 1.79 112.018 -178.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' O ' HD12 ' A' ' 48' ' ' ILE . 8.2 m120 63.12 66.58 0.72 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.238 0.542 . . . . 2.2 111.36 178.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.588 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.0 t80 -82.44 120.56 25.61 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 116.051 -0.522 . . . . 1.38 111.608 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 46' ' ' ASN . 3.9 mp -114.46 112.84 45.84 Favored Pre-proline 0 C--N 1.318 -0.772 0 N-CA-C 107.238 -1.393 . . . . 1.39 107.238 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.26 122.19 11.27 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.342 2.028 . . . . 0.78 112.577 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -67.91 101.12 1.05 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.846 -0.615 . . . . 0.69 111.509 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.504 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 27.0 mmt180 -63.69 -23.47 67.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.803 -0.635 . . . . 4.2 111.321 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -73.49 -38.63 65.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.017 0.437 . . . . 0.7 110.153 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.621 ' HB3' " C5'" ' D' ' 13' ' ' ' DC' . . . -73.84 -32.2 63.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 N-CA-C 108.53 -0.915 . . . . 0.53 108.53 178.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -64.37 -35.97 82.61 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.635 -1.166 . . . . 1.67 109.599 177.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 28.4 mt-30 -73.51 -22.17 60.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.037 -0.529 . . . . 2.66 109.767 178.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.698 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 6.9 tp -80.7 -52.9 7.02 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.699 -0.682 . . . . 0.61 110.345 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.67 -14.58 62.52 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.448 -0.796 . . . . 0.85 109.657 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.38 -151.63 24.82 Favored Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 109.985 -1.246 . . . . 1.86 109.985 178.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp 50.07 35.9 10.94 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 117.913 0.857 . . . . 6.17 110.683 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -77.3 83.87 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.838 -0.619 . . . . 6.76 110.906 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 p -103.39 46.72 0.91 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.361 0.6 . . . . 7.52 110.008 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.319 -0.743 0 CA-C-O 118.62 -0.705 . . . . 9.27 110.006 -179.658 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 43.9 tpp . . . . . 0 N--CA 1.477 0.921 0 CA-C-O 120.918 0.39 . . . . 6.54 110.861 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -106.03 127.44 28.35 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.155 -0.93 . . . . 5.5 109.641 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -66.86 121.49 8.71 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.116 1.877 . . . . 1.75 111.128 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.715 HG21 ' O ' ' B' ' 45' ' ' LEU . 39.3 t -88.67 160.16 2.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.814 -0.63 . . . . 0.83 109.773 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.726 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 69.9 p -136.74 161.88 34.73 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-O 119.362 -0.351 . . . . 0.68 110.642 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.581 ' HG ' HG11 ' B' ' 20' ' ' VAL . 1.7 tt -49.51 -30.97 9.23 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 123.867 0.729 . . . . 0.66 111.463 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.569 ' CE2' " H2'" ' C' ' 12' ' ' ' DG' . 31.1 m-85 -69.2 -35.84 76.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.87 0.367 . . . . 1.22 110.482 -179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -66.75 -39.1 87.78 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.086 -0.709 . . . . 1.45 109.086 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 22.2 t -65.66 -43.89 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 115.364 -0.834 . . . . 0.55 110.463 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.677 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.8 -51.13 70.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.63 111.194 178.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -59.85 -43.88 94.41 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.168 -0.924 . . . . 2.46 112.813 -179.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -65.95 -54.02 31.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.1 0.476 . . . . 1.39 112.227 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.731 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -64.01 -25.19 68.01 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.659 -0.7 . . . . 0.69 112.844 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.6 49.62 6.52 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.005 -1.093 . . . . 1.09 111.363 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 m -133.32 174.74 12.76 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 N-CA-C 108.45 -0.945 . . . . 0.62 108.45 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 25.0 p -74.72 153.92 38.63 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 107.459 -1.311 . . . . 1.31 107.459 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -16.08 63.79 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 121.147 -0.221 . . . . 1.58 110.964 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.535 ' HB2' ' H71' ' D' ' 6' ' ' ' DT' . 0.0 OUTLIER -85.0 -33.03 22.64 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.28 -1.008 . . . . 0.89 108.28 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 39.0 m -53.78 -34.7 59.89 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.73 -1.123 . . . . 0.64 110.783 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.677 HG21 ' HB2' ' B' ' 10' ' ' ALA . 2.8 t -66.28 -51.4 59.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.048 -0.978 . . . . 1.17 108.853 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.591 ' OG ' ' H73' ' C' ' 14' ' ' ' DT' . 58.3 m -57.06 -46.53 82.39 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.979 -0.749 . . . . 1.13 108.979 177.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' B' ' 18' ' ' GLN . 21.5 mtt-85 -49.99 -40.96 45.91 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.194 -0.912 . . . . 2.87 112.541 178.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.9 t -78.79 -31.51 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 120.993 0.425 . . . . 0.86 110.751 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.2 t -74.71 -28.95 22.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.274 0.559 . . . . 1.03 111.108 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.413 HD21 ' P ' ' C' ' 14' ' ' ' DT' . 16.7 m-80 -81.73 -85.02 0.11 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.78 0.8 . . . . 1.25 110.626 -179.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -153.38 90.79 1.44 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.364 -1.289 . . . . 3.75 110.369 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.59 128.13 34.54 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.193 -0.669 . . . . 2.36 109.193 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.8 m -153.69 -26.08 0.14 Allowed 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.577 0.703 . . . . 1.96 109.867 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -120.84 31.45 6.4 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 109.19 -0.67 . . . . 1.34 109.19 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -122.91 139.29 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.026 0 CA-C-N 115.13 -0.941 . . . . 1.1 110.013 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.54 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 62.0 m -66.9 153.98 42.16 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.623 -1.171 . . . . 0.98 110.845 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.54 -48.01 78.2 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.141 -0.482 . . . . 1.12 110.635 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -56.78 -54.41 46.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.176 0.512 . . . . 3.25 111.692 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.54 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -56.61 -38.58 72.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.873 -1.058 . . . . 0.77 111.722 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -68.44 -43.23 77.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.322 0.582 . . . . 3.59 109.845 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.42 -31.3 72.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.242 -0.89 . . . . 1.96 111.841 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.731 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 17.0 tppt? -66.61 -44.28 82.5 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.908 -0.587 . . . . 1.91 111.561 -179.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.585 ' O ' ' HG3' ' B' ' 42' ' ' MET . 48.5 t -71.1 -38.47 71.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.371 -0.377 . . . . 0.62 111.337 -178.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -67.39 -37.27 82.86 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.63 -0.507 . . . . 1.68 109.63 -179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.22 -46.76 63.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.866 -0.606 . . . . 0.77 110.649 179.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.563 ' O ' HD12 ' B' ' 45' ' ' LEU . . . -53.57 -26.72 22.75 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.667 -0.697 . . . . 0.65 112.495 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.585 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 37.4 mtt -68.61 -19.64 64.45 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.053 -0.521 . . . . 0.71 109.953 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.53 -55.31 3.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.896 -0.593 . . . . 0.9 112.033 -178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -52.55 -53.29 48.25 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.65 0.738 . . . . 1.58 111.497 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.715 ' O ' HG21 ' B' ' 4' ' ' VAL . 2.1 mt -77.36 -7.68 56.47 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 114.149 -1.387 . . . . 1.14 113.573 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.447 ' O ' HG12 ' B' ' 48' ' ' ILE . 3.4 t30 57.38 49.09 13.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.422 -0.584 . . . . 1.24 109.422 -177.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.635 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 3.0 t80 -55.83 125.34 20.91 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.726 -0.67 . . . . 1.46 109.82 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.447 HG12 ' O ' ' B' ' 46' ' ' ASN . 20.1 mm -131.08 98.67 18.63 Favored Pre-proline 0 N--CA 1.441 -0.88 0 N-CA-C 104.184 -2.525 . . . . 1.34 104.184 178.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -35.37 123.88 0.23 Allowed 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 123.863 3.042 . . . . 0.72 115.491 -176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.667 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 39.3 t-20 -65.02 75.88 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.413 -0.812 . . . . 0.85 109.777 178.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -50.59 -19.3 0.87 Allowed 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.414 0.894 . . . . 4.55 113.414 -176.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 55.9 m -75.67 -60.73 2.18 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 120.485 -0.486 . . . . 0.73 111.004 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.87 -25.16 63.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.101 -0.5 . . . . 0.64 110.097 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.667 ' HG3' ' O ' ' B' ' 50' ' ' ASN . 30.9 mt-30 -65.85 -36.74 84.3 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.792 -0.64 . . . . 1.04 111.079 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.17 -27.56 57.0 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.424 0.631 . . . . 2.45 109.617 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.506 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.0 OUTLIER -72.19 -45.24 61.16 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.286 -0.87 . . . . 0.65 109.18 179.075 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.441 ' HB2' ' H21' ' C' ' 12' ' ' ' DG' . . . -73.6 0.79 11.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.591 -0.731 . . . . 1.07 112.868 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.02 -83.04 0.33 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.674 -0.774 . . . . 1.6 111.87 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.95 128.7 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.468 -0.866 . . . . 5.04 111.874 -179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -72.75 107.11 5.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.76 -0.655 . . . . 6.57 110.193 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.83 -32.09 19.22 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.498 -0.319 . . . . 6.55 111.004 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.404 -0.807 . . . . 8.33 110.751 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.499 -1.607 0 C3'-C2'-C1' 99.216 -2.488 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.595 H2'' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.825 0 C3'-C2'-C1' 99.357 -2.388 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.595 ' C8 ' H2'' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 C3'-C2'-C1' 99.144 -2.54 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.581 ' H71' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 C3'-C2'-C1' 99.791 -2.078 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.465 ' H73' ' C5 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C3'-C2'-C1' 99.659 -2.172 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.519 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.976 0 C3'-C2'-C1' 99.971 -1.949 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.519 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.006 0 C3'-C2'-C1' 99.627 -2.195 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.172 0 C3'-C2'-C1' 99.345 -2.397 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.178 0 C3'-C2'-C1' 99.755 -2.103 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C3'-C2'-C1' 98.643 -2.898 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.522 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.454 0.729 0 O4'-C1'-C2' 103.661 -2.218 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.698 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.499 -1.567 0 C3'-C2'-C1' 99.068 -2.594 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.726 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.5 -1.499 0 C3'-C2'-C1' 99.721 -2.128 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.515 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C5'-C4'-C3' 118.172 2.315 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.591 ' H73' ' OG ' ' B' ' 21' ' ' SER . . . . . . . . 0 C2'--C1' 1.511 -0.692 0 C5'-C4'-C3' 117.694 1.996 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.819 0 O4'-C1'-C2' 104.032 -1.88 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.403 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.036 0 C3'-C2'-C1' 99.76 -2.1 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.403 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.092 0 C5'-C4'-C3' 117.819 2.079 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.029 0 C3'-C2'-C1' 99.793 -2.076 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.069 0 O4'-C1'-C2' 104.042 -1.871 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.511 -0.689 0 C3'-C2'-C1' 99.776 -2.089 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.409 ' C6 ' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.883 0 C3'-C2'-C1' 99.297 -2.431 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.409 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.935 0 C3'-C2'-C1' 99.361 -2.385 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.027 0 C3'-C2'-C1' 100.421 -1.628 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C4'-C3'-C2' 102.302 -0.898 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.508 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 107.516 1.288 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.508 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 O4'-C1'-C2' 107.342 1.129 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.527 0.908 0 C3'-C2'-C1' 105.379 1.913 . . . . 0.83 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.402 " H2'" ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.812 0 C4'-C3'-C2' 104.095 0.895 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.535 ' H71' ' HB2' ' B' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-C2' 107.317 1.106 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.43 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.775 0 O4'-C1'-C2' 107.465 1.241 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.566 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.536 0.807 0 C4'-C3'-C2' 104.678 1.478 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.566 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-N19 108.369 0.712 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.463 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C5'-C4'-C3' 116.613 1.275 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.517 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.794 0 C3'-C2'-C1' 106.686 2.847 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.517 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C3'-C2'-C1' 100.937 -1.259 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.621 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C3'-C2'-C1' 104.712 1.437 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.507 H2'' ' OP2' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C5'-C4'-O4' 107.935 -0.915 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.507 ' OP2' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 O4'-C1'-C2' 107.403 1.185 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.574 ' C2 ' ' C2 ' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C2'-C3'-O3' 113.811 1.189 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.574 ' C2 ' ' C2 ' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 104.054 0.967 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.403 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C4'-C3' 106.465 0.865 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.582 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C5'-C4'-C3' 116.164 0.976 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.582 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 C4'-C3'-C2' 104.064 0.864 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C1'-O4'-C4' 110.939 0.885 . . . . 1.8 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 N19-C1'-C2' 115.943 1.089 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ttt . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.643 0.259 . . . . 6.94 111.039 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -115.56 102.4 54.3 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.497 -0.32 . . . . 5.85 110.544 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.71 113.62 3.09 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 122.449 2.099 . . . . 1.9 111.292 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.555 HG12 ' H ' ' A' ' 5' ' ' THR . 5.6 t -111.87 173.71 2.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 115.025 -0.989 . . . . 0.99 108.983 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.555 ' H ' HG12 ' A' ' 4' ' ' VAL . 9.9 p -133.6 162.5 31.75 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.048 -0.723 . . . . 0.72 109.048 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -67.69 -14.82 63.27 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.223 -0.658 . . . . 0.66 109.223 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -76.36 -39.98 52.4 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.729 -0.669 . . . . 0.68 109.899 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -62.58 -38.49 90.31 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.123 -1.065 . . . . 1.86 108.123 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 5' ' ' THR . 34.2 t -67.38 -47.98 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 113.11 -1.859 . . . . 0.66 109.086 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.75 90.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.436 -0.802 . . . . 0.65 111.41 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.91 -46.61 71.08 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 120.802 0.334 . . . . 2.41 111.586 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.444 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 25.3 t80 -67.15 -27.45 67.31 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.096 0.474 . . . . 1.68 111.48 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.08 -19.39 24.4 Favored 'General case' 0 N--CA 1.43 -1.474 0 CA-C-O 121.161 0.505 . . . . 0.71 109.84 -178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.8 47.7 13.97 Favored Glycine 0 N--CA 1.446 -0.688 0 N-CA-C 110.524 -1.03 . . . . 0.68 110.524 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.6 m -140.25 -171.58 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.862 -0.669 . . . . 0.62 109.855 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.1 m -100.25 154.83 18.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.459 -0.571 . . . . 1.03 109.459 178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -54.35 -43.22 71.08 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.19 -0.604 . . . . 1.38 110.608 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -60.25 -29.8 69.01 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 110.025 -0.361 . . . . 2.08 110.025 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.428 ' O ' HG23 ' A' ' 23' ' ' VAL . 23.1 m -68.41 -44.82 74.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.425 -0.583 . . . . 0.61 109.425 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 24' ' ' VAL . 65.1 t -60.12 -51.14 76.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 114.978 -1.01 . . . . 0.65 110.17 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.8 t -60.52 -26.58 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.515 . . . . 1.22 111.078 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mtm-85 -75.68 -26.81 57.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.923 -0.769 . . . . 2.65 108.923 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 19' ' ' THR . 95.9 t -84.12 -43.27 17.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.183 0.516 . . . . 0.92 109.976 178.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 20' ' ' VAL . 23.9 t -63.47 -47.87 89.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.376 -0.829 . . . . 0.94 113.145 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -106.49 -7.36 17.58 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.704 1.372 . . . . 1.24 114.704 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 25.3 mm-40 -135.44 -128.88 0.15 Allowed 'General case' 0 C--O 1.235 0.328 0 CA-C-N 119.461 1.028 . . . . 4.46 110.013 -178.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.459 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 167.06 -39.07 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.742 1.277 . . . . 2.66 111.222 -178.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.2 t -71.05 156.53 39.51 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.945 -0.57 . . . . 2.08 110.727 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.549 ' HB3' ' C7 ' ' C' ' 4' ' ' ' DT' . 49.3 m170 65.52 23.12 11.83 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-O 121.867 0.842 . . . . 1.63 109.11 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 28' ' ' SER . 10.7 t -136.68 125.5 36.22 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 CA-C-N 114.506 -1.224 . . . . 1.05 109.83 178.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.465 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 51.9 m -65.31 139.77 58.62 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.374 -0.83 . . . . 1.29 109.086 178.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -56.03 -43.58 77.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.123 -0.49 . . . . 1.09 111.637 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 11.1 mttp -57.11 -37.47 72.0 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.251 0.548 . . . . 3.08 110.893 -178.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.605 ' O ' ' HG2' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -78.25 -44.14 26.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.572 -0.74 . . . . 0.98 111.473 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -53.62 -49.71 67.25 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.579 0.585 . . . . 3.63 112.579 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 27.4 mt-10 -68.86 -23.14 64.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.366 -0.379 . . . . 1.72 111.853 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 34' ' ' THR . 8.9 ptpt -86.6 -21.62 26.7 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.956 0.408 . . . . 1.44 110.889 -178.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG11 ' HA ' ' A' ' 20' ' ' VAL . 76.7 t -83.64 -40.12 15.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 N-CA-C 108.536 -0.913 . . . . 0.68 108.536 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.06 -32.79 72.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.849 0.833 . . . . 1.7 109.404 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.554 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -69.79 -36.98 76.15 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 114.394 -1.275 . . . . 0.78 110.875 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.22 90.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.04 -0.527 . . . . 0.79 110.364 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.437 ' CE ' HG22 ' A' ' 24' ' ' VAL . 25.1 mtt -67.54 -24.2 65.51 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.046 -0.525 . . . . 0.87 111.561 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.09 -33.56 33.25 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.798 0.809 . . . . 0.93 109.045 -178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 16.1 mm-40 -70.59 -58.98 3.11 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.308 -1.314 . . . . 1.55 111.479 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.413 ' O ' HG21 ' A' ' 4' ' ' VAL . 1.5 mt -81.64 -9.73 59.59 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.799 -1.546 . . . . 1.79 113.123 -176.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.51 ' O ' HD12 ' A' ' 48' ' ' ILE . 10.5 m120 64.04 57.09 1.33 Allowed 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.625 -0.509 . . . . 2.2 109.625 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.479 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 15.6 t80 -78.53 125.61 29.6 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 115.782 -0.644 . . . . 1.38 111.398 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 46' ' ' ASN . 3.5 mp -114.84 115.59 43.54 Favored Pre-proline 0 C--N 1.316 -0.883 0 N-CA-C 107.057 -1.46 . . . . 1.39 107.057 176.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.03 125.98 20.87 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.637 2.225 . . . . 0.78 111.509 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -73.36 96.58 2.35 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.771 0.32 . . . . 0.69 111.666 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -60.25 -18.16 46.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.911 -0.586 . . . . 4.2 110.924 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -77.79 -48.43 16.57 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.603 -0.518 . . . . 0.7 109.603 -179.553 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.834 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -70.1 -35.63 74.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.587 -0.894 . . . . 0.53 108.587 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -58.65 -34.92 71.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.774 -1.103 . . . . 1.67 110.12 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 52' ' ' CYS . 1.5 pt20 -80.42 -29.73 37.65 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.753 -0.462 . . . . 2.66 109.753 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.715 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 9.8 tp -65.54 -51.9 56.42 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.656 0.265 . . . . 0.61 110.945 178.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.4 -17.95 55.7 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.396 0.617 . . . . 0.85 110.303 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 72.8 103.13 0.07 OUTLIER Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.075 -0.966 . . . . 1.86 111.393 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' H ' ' HG2' ' A' ' 59' ' ' LYS . 16.6 pttp -59.94 -14.46 15.89 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.13 0.49 . . . . 6.17 111.386 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.5 ' HA ' ' NE2' ' A' ' 60' ' ' GLN . 0.1 OUTLIER -153.45 46.19 0.65 Allowed 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.711 -0.848 . . . . 6.76 108.711 176.805 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 m 63.91 95.47 0.05 OUTLIER 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.596 -1.184 . . . . 7.52 110.648 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.2 tp . . . . . 0 C--O 1.248 0.988 0 CA-C-N 114.83 -1.077 . . . . 9.27 111.128 -179.336 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 42.9 mtm . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.72 0.295 . . . . 6.54 111.433 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -160.82 123.55 1.83 Allowed Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.079 -0.711 . . . . 5.5 109.079 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -62.82 116.99 3.89 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 121.521 1.481 . . . . 1.75 110.379 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.602 HG21 ' O ' ' B' ' 45' ' ' LEU . 85.1 t -81.65 161.97 3.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.825 -0.805 . . . . 0.83 108.825 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.7 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 15.1 p -135.36 163.71 29.4 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 121.199 -0.2 . . . . 0.68 111.182 -178.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.617 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.5 OUTLIER -53.3 -31.68 45.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 123.73 0.644 . . . . 0.66 110.207 175.718 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.586 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 17.2 m-85 -69.7 -34.66 74.22 Favored 'General case' 0 C--O 1.225 -0.203 0 CA-C-N 116.424 -0.353 . . . . 1.22 111.296 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.32 -36.67 81.95 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 108.992 -0.744 . . . . 1.45 108.992 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.652 ' HA ' HD23 ' B' ' 45' ' ' LEU . 31.4 t -67.21 -46.19 84.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.511 -0.768 . . . . 0.55 111.172 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.554 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.1 -51.79 66.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.702 -0.681 . . . . 0.63 111.125 178.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -57.65 -41.04 80.64 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.273 -0.876 . . . . 2.46 112.283 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.444 ' HB2' HD21 ' B' ' 45' ' ' LEU . 27.2 t80 -72.55 -45.92 56.95 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.525 0.565 . . . . 1.39 112.525 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.558 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -69.48 -25.18 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.286 0.476 . . . . 0.69 112.286 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.43 45.82 6.75 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.035 -1.078 . . . . 1.09 111.702 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.5 m -136.76 171.08 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 N-CA-C 108.962 -0.755 . . . . 0.62 108.962 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' B' ' 19' ' ' THR . 69.8 m -75.54 153.75 37.25 Favored 'General case' 0 C--N 1.308 -1.204 0 C-N-CA 119.605 -0.838 . . . . 1.31 109.071 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.443 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -56.99 -41.89 79.26 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 123.363 0.415 . . . . 1.58 110.863 -178.579 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.468 ' HG2' ' H71' ' C' ' 14' ' ' ' DT' . 0.0 OUTLIER -60.8 -29.23 69.33 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.666 0.27 . . . . 0.89 111.626 178.487 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.493 ' O ' HG23 ' B' ' 23' ' ' VAL . 95.5 m -62.07 -37.82 86.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.739 . . . . 0.64 109.037 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.554 HG21 ' HB2' ' B' ' 10' ' ' ALA . 4.4 t -67.55 -45.78 84.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.251 -0.886 . . . . 1.17 109.598 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 7.9 t -55.05 -51.62 65.74 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 107.434 -1.321 . . . . 1.13 107.434 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -50.62 -38.19 44.56 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.141 -1.39 . . . . 2.87 112.847 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 19' ' ' THR . 96.1 t -77.39 -39.95 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.497 -0.186 . . . . 0.86 110.497 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.4 -38.74 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 CA-C-O 121.302 0.572 . . . . 1.03 110.504 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.13 -10.55 59.85 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.908 -0.587 . . . . 1.25 111.033 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 58.47 39.02 25.49 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.687 0.756 . . . . 3.75 109.403 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.77 171.69 14.3 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.002 -1.454 . . . . 2.36 112.027 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.8 t -86.29 179.26 6.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.492 -0.776 . . . . 1.96 110.546 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 38.0 m170 66.38 28.59 9.66 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.464 -0.789 . . . . 1.34 110.64 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.7 t -121.56 121.39 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 115.704 -0.68 . . . . 1.1 110.619 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 68.0 m -70.68 152.79 43.47 Favored 'General case' 0 N--CA 1.434 -1.232 0 CA-C-N 116.366 -0.379 . . . . 0.98 110.147 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.21 -51.29 67.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 1.12 111.916 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -52.16 -59.3 4.54 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.339 0.399 . . . . 3.25 111.138 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.446 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -54.89 -37.53 66.41 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.757 -0.656 . . . . 0.77 111.352 179.322 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' B' ' 35' ' ' ARG . 18.5 ttm-85 -65.45 -52.33 53.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.532 0.682 . . . . 3.59 111.126 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -70.58 -26.39 63.5 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.277 -0.874 . . . . 1.96 112.099 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.558 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 3.1 tppt? -67.26 -46.33 74.0 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.572 -0.529 . . . . 1.91 109.572 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' B' ' 42' ' ' MET . 92.3 t -65.9 -37.5 80.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.522 -0.763 . . . . 0.62 111.163 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -69.02 -31.63 70.57 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.018 0.437 . . . . 1.68 110.015 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.16 -49.11 65.91 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.158 0.504 . . . . 0.77 109.82 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.73 -29.83 41.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.958 -1.019 . . . . 0.65 111.24 178.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 67.3 mtt -61.38 -23.81 66.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.114 -0.494 . . . . 0.71 110.695 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.68 -52.28 5.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.17 -0.468 . . . . 0.9 111.41 -178.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.75 -39.62 81.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.716 0.77 . . . . 1.58 110.776 -179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.652 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.0 OUTLIER -80.71 -18.52 47.58 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.925 -1.034 . . . . 1.14 112.18 -179.443 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 62.77 39.0 11.33 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.081 -1.452 . . . . 1.24 107.081 -176.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.585 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.9 t80 -56.99 124.48 18.84 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 114.672 -1.149 . . . . 1.46 110.755 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 91.4 mt -133.52 102.04 12.9 Favored Pre-proline 0 N--CA 1.434 -1.23 0 N-CA-C 103.358 -2.831 . . . . 1.34 103.358 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.473 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.6 OUTLIER -28.96 123.36 0.05 OUTLIER 'Trans proline' 0 CA--C 1.535 0.575 0 C-N-CA 124.734 3.623 . . . . 0.72 115.573 -175.231 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.495 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 54.6 t-20 -62.5 77.8 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 114.617 -1.174 . . . . 0.85 110.683 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -50.39 -27.53 6.51 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.62 -0.718 . . . . 4.55 112.827 -177.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 89.8 m -66.39 -62.75 1.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.284 0.564 . . . . 0.73 110.785 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.91 78.29 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.371 -0.831 . . . . 0.64 110.889 -179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.501 ' HG2' " C5'" ' C' ' 13' ' ' ' DA' . 33.4 mt-30 -62.21 -28.8 69.94 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.819 -0.628 . . . . 1.04 112.042 -179.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.708 ' HA ' ' HA ' ' B' ' 59' ' ' LYS . 46.9 mt-30 -83.09 -27.46 30.21 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 109.616 -0.513 . . . . 2.45 109.616 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.834 HD11 ' HB2' ' A' ' 53' ' ' ALA . 4.4 mp -70.53 -42.77 70.78 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 114.891 -1.05 . . . . 0.65 109.688 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.426 ' CB ' ' H21' ' C' ' 12' ' ' ' DG' . . . -73.86 4.8 4.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.828 -1.078 . . . . 1.07 113.5 -177.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . 0.452 ' O ' ' HB2' ' B' ' 59' ' ' LYS . . . 131.87 20.75 1.04 Allowed Glycine 0 CA--C 1.521 0.453 0 C-N-CA 119.524 -1.322 . . . . 1.6 114.624 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.708 ' HA ' ' HA ' ' B' ' 55' ' ' GLN . 12.3 mptt 72.96 -95.78 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 117.149 0.474 . . . . 5.04 112.105 178.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.495 ' HB3' ' HG ' ' B' ' 62' ' ' LEU . 11.3 mm-40 -148.61 141.73 24.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.593 -0.276 . . . . 6.57 110.95 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.46 50.26 1.74 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.981 -0.554 . . . . 6.55 110.104 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.495 ' HG ' ' HB3' ' B' ' 60' ' ' GLN . 40.5 mt . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.502 -0.761 . . . . 8.33 110.56 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . 0.48 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.267 0 C3'-C2'-C1' 99.923 -1.984 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.48 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.826 0 C3'-C2'-C1' 99.768 -2.094 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.443 ' C8 ' " H1'" ' C' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.533 0 O4'-C1'-C2' 103.55 -2.318 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.713 ' C5 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-C2' 103.769 -2.119 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.713 ' H72' ' C5 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.854 0 C3'-C2'-C1' 99.073 -2.591 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.5 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.503 -1.312 0 C3'-C2'-C1' 99.772 -2.091 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.43 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.016 0 O4'-C1'-C2' 103.931 -1.972 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . 0.415 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.075 0 C3'-C2'-C1' 99.279 -2.443 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.415 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-C1' 99.501 -2.285 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C3'-C2'-C1' 99.175 -2.518 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.852 0 O4'-C1'-C2' 103.893 -2.006 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.715 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.42 -1.257 0 C3'-C2'-C1' 98.69 -2.865 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.7 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.584 -1.891 0 O4'-C1'-C2' 103.598 -2.274 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.617 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 P--OP1 1.495 0.6 0 C3'-C2'-C1' 99.513 -2.277 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.468 ' H71' ' HG2' ' B' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.51 -0.811 0 C5'-C4'-C3' 117.549 1.9 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.935 0 C3'-C2'-C1' 100.11 -1.85 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.431 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.068 0 C3'-C2'-C1' 99.987 -1.938 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.431 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.226 0 C3'-C2'-C1' 99.66 -2.172 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.475 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.907 0 O4'-C1'-C2' 103.981 -1.927 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.454 0.737 0 O4'-C1'-C2' 103.74 -2.145 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.067 0 C3'-C2'-C1' 99.796 -2.075 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.434 ' C6 ' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 C3'-C2'-C1' 99.398 -2.358 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.434 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.11 0 C3'-C2'-C1' 99.033 -2.619 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.95 0 C3'-C2'-C1' 100.361 -1.671 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C5'-C4'-C3' 116.688 1.325 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.556 H2'' " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.534 0.962 0 O4'-C4'-C3' 104.168 -1.432 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.556 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C1'-O4'-C4' 110.772 0.766 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.475 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.526 0.824 0 C3'-C2'-C1' 105.421 1.943 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.6 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 C5'-C4'-C3' 116.1 0.934 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.6 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.624 0 C4'-C3'-C2' 104.108 0.908 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.485 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C3'-C2'-C1' 104.577 1.341 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.485 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-C2' 107.287 1.079 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.47 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C5'-C4'-O4' 107.899 -0.938 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.449 ' C6 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.622 1.22 0 C4'-C3'-C2' 101.599 -1.601 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.435 H2'' ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.042 0 O4'-C1'-C2' 107.526 1.297 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.435 ' C8 ' H2'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.621 0 C3'-C2'-C1' 101.146 -1.11 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.686 " H5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.037 0 O4'-C4'-C3' 106.893 1.293 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.53 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-C1' 104.183 1.06 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.53 ' C6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 107.509 1.281 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.466 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.623 0 O4'-C1'-C2' 106.971 0.792 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.466 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 O4'-C4'-C3' 106.399 0.799 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.45 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.072 0 C5'-C4'-C3' 115.953 0.835 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.463 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.568 0 OP2-P-O3' 110.708 0.752 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.463 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C4'-C3'-C2' 102.203 -0.997 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.418 " H5'" " H1'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C5'-C4'-C3' 116.388 1.125 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C5'-C4'-O4' 107.474 -1.204 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.149 0 N-CA-C 110.105 -0.331 . . . . 6.94 110.105 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.476 ' HE3' ' O ' ' A' ' 3' ' ' PRO . 33.2 tptt -99.41 106.88 42.09 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 110.148 -0.316 . . . . 5.85 110.148 178.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.476 ' O ' ' HE3' ' A' ' 2' ' ' LYS . 38.3 Cg_endo -70.1 138.98 37.96 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 121.609 1.539 . . . . 1.9 110.439 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.635 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 26.1 t -100.35 168.9 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 107.271 -1.381 . . . . 0.99 107.271 -179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 9' ' ' VAL . 11.0 p -135.09 165.17 25.99 Favored 'General case' 0 C--N 1.315 -0.932 0 C-N-CA 120.344 -0.543 . . . . 0.72 109.765 -178.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.434 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.7 pt? -63.32 -17.1 62.18 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.617 -0.72 . . . . 0.66 110.768 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -78.33 -38.53 41.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.568 -0.742 . . . . 0.68 110.397 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -65.37 -34.83 79.23 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 122.099 0.952 . . . . 1.86 108.66 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 5' ' ' THR . 38.2 t -68.32 -44.44 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.798 -1.546 . . . . 0.66 109.779 178.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.43 ' HA ' ' CG2' ' A' ' 15' ' ' VAL . . . -64.04 -40.14 95.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.27 -0.877 . . . . 0.65 110.699 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.94 -51.9 54.5 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.969 -0.293 . . . . 2.41 110.712 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.503 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 27.0 t80 -65.04 -24.77 67.57 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 112.205 0.446 . . . . 1.68 112.205 -177.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.419 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -94.76 -15.66 23.66 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 120.761 -0.376 . . . . 0.71 111.057 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.76 35.65 31.18 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.798 -0.921 . . . . 0.68 110.798 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 35.0 m -131.94 -172.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 114.867 -0.666 . . . . 0.62 110.779 -178.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.404 ' HG ' ' P ' ' C' ' 5' ' ' ' DG' . 70.3 m -102.5 152.59 20.96 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.393 -0.821 . . . . 1.03 109.547 178.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.434 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 34.7 p90 -53.56 -39.57 64.88 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 120.363 -0.535 . . . . 1.38 110.671 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -58.85 -34.04 71.12 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.973 0.416 . . . . 2.08 110.194 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.1 m -67.96 -43.68 78.47 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.89 -0.595 . . . . 0.61 109.553 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 24' ' ' VAL . 68.5 t -58.63 -51.05 76.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.096 -0.956 . . . . 0.65 110.926 177.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 m -64.78 -27.32 68.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.128 -0.487 . . . . 1.22 110.863 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HD3' ' OE1' ' A' ' 26' ' ' GLN . 0.7 OUTLIER -68.35 -33.19 73.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.747 -0.835 . . . . 2.65 108.747 179.077 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.5 t -82.72 -43.92 18.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.508 -0.769 . . . . 0.92 110.684 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 20' ' ' VAL . 61.2 t -63.31 -44.13 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 115.557 -0.747 . . . . 0.94 111.874 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.545 HD21 ' P ' ' D' ' 14' ' ' ' DT' . 51.6 m-80 -96.47 -25.21 15.76 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 113.909 1.078 . . . . 1.24 113.909 -177.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.505 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 6.2 mt-30 -129.38 -120.48 0.23 Allowed 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 109.853 -0.425 . . . . 4.46 109.853 -179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 156.95 -33.43 0.0 OUTLIER 'General case' 0 C--O 1.234 0.25 0 O-C-N 125.104 1.502 . . . . 2.66 109.04 -178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 4.5 t -68.38 147.84 51.53 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 114.841 -1.072 . . . . 2.08 109.161 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.481 ' CG ' ' H72' ' C' ' 3' ' ' ' DT' . 50.8 m170 71.79 18.65 5.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.533 0.521 . . . . 1.63 110.677 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.0 t -131.06 130.76 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 109.267 -0.642 . . . . 1.05 109.267 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.5 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 5.4 m -53.56 135.79 39.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.638 0.732 . . . . 1.29 110.574 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.06 -6.67 23.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.292 -0.867 . . . . 1.09 111.256 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -93.65 -47.3 6.87 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 107.683 -1.228 . . . . 3.08 107.683 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.56 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -70.37 -33.9 71.97 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 114.82 -1.082 . . . . 0.98 111.973 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -52.42 -49.21 64.99 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.286 0.565 . . . . 3.63 111.275 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.06 -18.35 60.84 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.518 -0.764 . . . . 1.72 111.676 -178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -84.08 -29.23 26.98 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.429 -0.582 . . . . 1.44 109.429 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 34' ' ' THR . 88.8 t -77.62 -42.78 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.551 0 N-CA-C 108.496 -0.927 . . . . 0.68 108.496 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -62.72 -30.9 71.77 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.356 -0.979 . . . . 1.7 108.356 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -70.96 -38.73 72.82 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.989 -1.005 . . . . 0.78 109.954 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.56 -36.27 83.24 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.812 -0.631 . . . . 0.79 110.124 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.497 ' SD ' ' HD2' ' A' ' 47' ' ' TYR . 28.5 mtm -67.31 -23.81 65.68 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 115.596 -0.729 . . . . 0.87 112.226 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.5 -34.04 21.67 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.601 0.715 . . . . 0.93 109.183 -178.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 52.3 mm-40 -65.54 -56.21 13.58 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.608 -1.178 . . . . 1.55 111.266 179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.495 ' O ' HG21 ' A' ' 4' ' ' VAL . 1.2 mt -81.93 -13.37 57.6 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 113.515 -1.675 . . . . 1.79 112.607 -177.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.424 ' O ' HD13 ' A' ' 48' ' ' ILE . 24.1 m120 67.14 55.03 0.71 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.239 0.542 . . . . 2.2 109.819 -179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.635 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.8 t80 -70.68 124.59 24.63 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.738 -0.664 . . . . 1.38 110.577 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -110.28 117.47 51.34 Favored Pre-proline 0 N--CA 1.444 -0.761 0 N-CA-C 109.583 -0.525 . . . . 1.39 109.583 177.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.65 119.47 6.67 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.488 2.125 . . . . 0.78 111.745 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 -80.73 101.39 9.27 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.369 0.604 . . . . 0.69 111.624 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -41.54 73.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.846 -1.07 . . . . 4.2 111.313 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -41.84 98.65 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 110.096 -0.335 . . . . 0.7 110.096 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.475 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -64.59 -48.99 72.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.582 -0.736 . . . . 0.53 110.077 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.437 ' HG2' " O3'" ' D' ' 13' ' ' ' DC' . 77.7 mt-30 -58.4 -34.69 71.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.539 -0.755 . . . . 1.67 110.773 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -78.08 -27.92 48.66 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.282 -0.417 . . . . 2.66 109.903 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.703 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 9.9 tp -74.35 -53.58 9.37 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.12 0.486 . . . . 0.61 110.349 179.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.484 ' HB1' ' N2 ' ' C' ' 9' ' ' ' DG' . . . -72.32 -15.12 61.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.295 0.85 . . . . 0.85 113.295 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.55 -121.99 0.61 Allowed Glycine 0 N--CA 1.44 -1.051 0 C-N-CA 119.802 -1.19 . . . . 1.86 112.705 -178.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -178.84 137.16 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 123.265 0.626 . . . . 6.17 110.233 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -122.21 35.18 4.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.013 0.435 . . . . 6.76 110.136 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 m 61.01 34.15 19.44 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.19 -0.914 . . . . 7.52 110.978 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mm? . . . . . 0 C--O 1.247 0.945 0 CA-C-O 117.842 -1.075 . . . . 9.27 110.437 179.92 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 45.3 mtp . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 121.061 0.457 . . . . 6.54 110.268 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -125.06 122.66 25.41 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 116.079 -0.509 . . . . 5.5 109.825 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.0 121.8 10.72 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.414 2.076 . . . . 1.75 111.35 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.672 HG21 ' O ' ' B' ' 45' ' ' LEU . 61.4 t -87.39 164.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 CA-C-N 115.421 -0.808 . . . . 0.83 110.929 -177.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.719 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 18.9 p -133.61 160.42 37.54 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.475 -0.784 . . . . 0.68 109.74 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.496 ' HG ' ' CG1' ' B' ' 20' ' ' VAL . 1.7 tt -55.51 -26.09 40.87 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.279 0.561 . . . . 0.66 110.732 177.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.571 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 25.8 m-85 -69.24 -36.02 76.75 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.486 -0.779 . . . . 1.22 110.715 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -68.2 -34.88 77.08 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.785 -0.82 . . . . 1.45 108.785 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.501 ' HA ' HD23 ' B' ' 45' ' ' LEU . 60.0 t -68.26 -44.45 83.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-N 114.291 -1.322 . . . . 0.55 109.768 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.652 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.44 -48.98 75.88 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.716 -0.675 . . . . 0.63 111.164 178.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.96 -49.64 75.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.833 -1.076 . . . . 2.46 112.539 -179.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.506 ' CB ' HD21 ' B' ' 45' ' ' LEU . 48.8 t80 -63.53 -46.62 85.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.01 0.374 . . . . 1.39 112.01 -178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.64 -23.08 64.39 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.938 0.347 . . . . 0.69 111.938 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.2 45.2 10.33 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 119.866 -1.159 . . . . 1.09 111.698 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.1 m -135.71 171.61 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 N-CA-C 107.81 -1.181 . . . . 0.62 107.81 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.421 ' OG ' " H2'" ' D' ' 5' ' ' ' DG' . 36.5 m -75.18 152.41 38.42 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 109.112 -0.699 . . . . 1.31 109.112 177.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -41.93 79.19 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 110.09 -0.337 . . . . 1.58 110.09 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -56.13 -35.51 67.2 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.051 0.453 . . . . 0.89 110.575 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 20.9 m -59.01 -39.43 81.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.337 -0.847 . . . . 0.64 110.343 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.652 HG21 ' HB2' ' B' ' 10' ' ' ALA . 3.4 t -67.75 -44.41 85.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.329 -0.85 . . . . 1.17 110.754 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 23.8 m -58.13 -44.38 87.76 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 107.326 -1.361 . . . . 1.13 107.326 176.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 32.4 mtt180 -55.0 -40.02 69.68 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 113.975 -1.466 . . . . 2.87 112.2 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.531 HG13 ' HG3' ' B' ' 35' ' ' ARG . 86.4 t -79.96 -35.37 16.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.297 0.57 . . . . 0.86 110.117 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 t -61.21 -29.39 45.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.524 -0.762 . . . . 1.03 110.409 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -99.19 -7.48 26.46 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.387 -0.824 . . . . 1.25 110.554 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 54.48 48.6 20.17 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.684 0.754 . . . . 3.75 108.982 -178.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.63 -178.23 5.76 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.593 -1.185 . . . . 2.36 112.729 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 29.8 p -85.03 179.22 7.32 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 114.962 -1.017 . . . . 1.96 110.192 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' B' ' 28' ' ' SER . 54.4 m170 69.1 21.67 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.57 0.544 . . . . 1.34 111.386 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.3 t -124.65 132.17 71.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.86 0.362 . . . . 1.1 110.193 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.408 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 62.4 m -72.69 153.05 41.37 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 116.071 -0.513 . . . . 0.98 109.784 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.2 -53.62 55.54 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.393 0.516 . . . . 1.12 112.393 -178.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' B' ' 37' ' ' LYS . 32.9 ttmt -57.34 -58.25 9.07 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.571 -0.74 . . . . 3.25 111.422 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.558 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -52.45 -33.89 46.27 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 120.85 0.357 . . . . 0.77 111.493 179.581 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.531 ' HG3' HG13 ' B' ' 23' ' ' VAL . 16.9 ttp180 -71.99 -46.13 58.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.57 0.7 . . . . 3.59 109.608 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -62.15 -35.58 79.21 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.055 -0.975 . . . . 1.96 111.694 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' B' ' 33' ' ' LYS . 52.8 mtpt -63.72 -41.93 98.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.828 0.347 . . . . 1.91 110.577 178.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 34' ' ' THR . 58.9 t -64.91 -39.64 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.381 -0.372 . . . . 0.62 111.575 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -66.62 -34.4 77.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.978 0.418 . . . . 1.68 110.056 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.01 -47.03 72.72 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.121 -0.49 . . . . 0.77 110.482 178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.436 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -55.03 -27.99 48.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.451 -0.795 . . . . 0.65 111.339 179.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 55.1 mtt -61.85 -20.91 64.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.901 -0.591 . . . . 0.71 109.872 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.75 -48.79 6.83 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 115.799 -0.637 . . . . 0.9 111.571 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -53.7 -52.82 58.84 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 122.135 0.969 . . . . 1.58 111.069 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.672 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -74.17 -17.47 60.91 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.198 -1.365 . . . . 1.14 111.56 -179.877 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.521 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.5 OUTLIER 63.78 47.14 3.7 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.283 -1.377 . . . . 1.24 107.283 -174.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.642 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.5 t80 -52.69 119.35 4.46 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 115.158 -0.928 . . . . 1.46 111.422 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.521 HG12 ' O ' ' B' ' 46' ' ' ASN . 22.4 mm -129.18 103.54 18.32 Favored Pre-proline 0 N--CA 1.442 -0.874 0 N-CA-C 104.074 -2.565 . . . . 1.34 104.074 177.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -36.45 127.03 0.42 Allowed 'Trans proline' 0 N--CA 1.476 0.47 0 C-N-CA 123.736 2.957 . . . . 0.72 114.859 -176.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.471 HD22 " H5'" ' C' ' 12' ' ' ' DG' . 50.6 t-20 -63.63 85.06 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.028 -0.987 . . . . 0.85 110.772 -179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.441 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 16.3 mmt85 -47.89 -29.35 3.24 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.034 1.124 . . . . 4.55 114.034 -178.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 2.6 m -74.24 -55.77 5.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.278 -0.569 . . . . 0.73 110.683 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.17 74.34 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.653 -0.703 . . . . 0.64 110.394 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -66.76 -34.0 76.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.801 -0.636 . . . . 1.04 111.189 -178.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -75.68 -24.82 56.32 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 108.093 -1.077 . . . . 2.45 108.093 -179.396 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.644 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 3.3 tp -82.77 -43.13 17.11 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 114.428 -1.26 . . . . 0.65 110.534 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.88 -8.4 58.8 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.34 0.496 . . . . 1.07 112.34 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 170.11 -87.13 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.389 -0.91 . . . . 1.6 112.87 -177.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -130.47 155.05 47.1 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 117.092 0.446 . . . . 5.04 111.326 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -47.25 -39.4 14.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.091 0.774 . . . . 6.57 113.091 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 19.4 m -144.31 118.95 9.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.106 0.479 . . . . 6.55 110.61 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.325 -0.845 . . . . 8.33 110.324 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . 0.461 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.309 0 C3'-C2'-C1' 99.054 -2.605 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.461 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 C3'-C2'-C1' 99.603 -2.212 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.468 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.989 0 O4'-C1'-C2' 103.761 -2.126 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.481 ' H72' ' CG ' ' A' ' 29' ' ' HIS . . . . . . . . 0 C2'--C1' 1.507 -0.981 0 O4'-C1'-C2' 103.784 -2.105 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.474 " H5'" " H1'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C3'-C2'-C1' 99.788 -2.08 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.422 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.001 0 C3'-C2'-C1' 99.876 -2.017 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.422 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.824 0 C3'-C2'-C1' 99.486 -2.295 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.849 0 C3'-C2'-C1' 99.843 -2.041 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.139 0 C3'-C2'-C1' 99.837 -2.045 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.484 ' N2 ' ' HB1' ' A' ' 57' ' ' ALA . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C3'-C2'-C1' 99.165 -2.525 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.512 -0.651 0 C5'-C4'-C3' 117.727 2.018 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.703 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.503 -1.304 0 C3'-C2'-C1' 99.028 -2.623 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.719 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.495 -1.869 0 O4'-C1'-C2' 103.726 -2.158 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.415 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C3'-C2'-C1' 99.076 -2.589 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.512 -0.641 0 C5'-C4'-C3' 117.774 2.05 . . . . 0.67 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.006 0 C3'-C2'-C1' 100.076 -1.874 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.412 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.974 0 O4'-C1'-C2' 104.082 -1.835 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.412 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.163 0 C3'-C2'-C1' 99.526 -2.267 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.463 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.923 0 C3'-C2'-C1' 99.721 -2.128 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.512 -0.652 0 O4'-C1'-C2' 103.664 -2.214 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.594 -1.12 0 C3'-C2'-C1' 99.579 -2.229 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.504 H2'' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.17 0 C3'-C2'-C1' 99.636 -2.189 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.504 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.721 0 C3'-C2'-C1' 99.188 -2.509 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.067 0 C3'-C2'-C1' 100.857 -1.317 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.4 H2'' ' OP2' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C5'-C4'-C3' 116.262 1.042 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.498 H2'' " C5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.531 0.685 0 O4'-C4'-C3' 104.222 -1.378 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.61 ' C6 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 O4'-C1'-C2' 107.25 1.045 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.61 ' H72' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.529 1.063 0 C4'-C3'-C2' 104.673 1.473 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.549 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.219 0 C4'-C3'-C2' 104.383 1.183 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.549 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 107.089 0.899 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.518 H2'' " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 0.96 0 C5'-C4'-C3' 116.154 0.969 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.518 " H5'" H2'' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C2'-C3'-O3' 114.02 1.267 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.497 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.719 0 C1'-O4'-C4' 110.656 0.683 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.526 H2'' ' C5 ' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.681 0 C3'-C2'-C1' 104.246 1.104 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.526 ' C5 ' H2'' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C4'-C3' 107.068 1.468 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.644 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 P--O3' 1.617 0.802 0 C3'-C2'-C1' 101.222 -1.056 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.475 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 C3'-C2'-C1' 104.814 1.51 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.545 ' P ' HD21 ' A' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 O4'-C4'-C3' 106.455 0.855 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.454 " H5'" " H1'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 C5'-C4'-C3' 115.916 0.811 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.509 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 C4'-C3'-C2' 102.281 -0.919 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.509 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C3'-C2'-C1' 104.448 1.248 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.457 H2'' ' OP2' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.012 0 C5'-C4'-O4' 107.771 -1.018 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.561 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.551 0 C4'-C3'-C2' 102.201 -0.999 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.561 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C4'-C3' 106.165 0.565 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.437 ' H72' " H2'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 O4'-C4'-C3' 106.456 0.856 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 N19-C1'-C2' 115.946 1.091 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.2 ttp . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 120.816 0.341 . . . . 6.94 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -71.49 140.56 84.68 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.338 -0.392 . . . . 5.85 110.497 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.63 153.16 73.68 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.346 2.03 . . . . 1.9 110.706 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 68.5 t -122.82 132.64 70.93 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 N-CA-C 108.869 -0.789 . . . . 0.99 108.869 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 9' ' ' VAL . 2.2 p -95.86 171.73 8.46 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 113.497 0.925 . . . . 0.72 113.497 -178.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.505 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.2 pt? -66.5 -19.07 65.7 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 114.201 -1.363 . . . . 0.66 109.822 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -76.46 -38.94 54.62 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 115.781 -0.645 . . . . 0.68 109.978 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.488 ' HB2' HG13 ' A' ' 4' ' ' VAL . 15.1 m-20 -64.94 -41.12 95.78 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.372 -1.344 . . . . 1.86 107.372 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 5' ' ' THR . 42.7 t -62.32 -43.89 98.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 113.466 -1.697 . . . . 0.66 110.421 177.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.431 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -66.84 -33.29 75.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.609 -0.723 . . . . 0.65 110.667 178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.63 -53.56 32.73 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.776 -0.647 . . . . 2.41 110.602 178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.542 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 39.7 t80 -68.82 -25.43 64.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.508 0.671 . . . . 1.68 111.494 -178.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.649 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -86.26 -17.53 34.46 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.219 -0.901 . . . . 0.71 109.198 -179.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.99 45.21 93.02 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.681 -1.368 . . . . 0.68 109.681 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.649 HG22 ' HB3' ' A' ' 13' ' ' ALA . 28.9 m -134.04 -167.97 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.014 0 CA-C-N 113.955 -1.122 . . . . 0.62 109.102 -178.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.7 m -102.19 150.74 22.97 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 108.049 -1.093 . . . . 1.03 108.049 176.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.505 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 31.2 p90 -55.58 -38.87 69.94 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 123.619 0.574 . . . . 1.38 109.651 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.49 ' HB2' ' H71' ' C' ' 6' ' ' ' DT' . 0.0 OUTLIER -63.59 -29.92 71.11 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.051 -0.259 . . . . 2.08 110.724 177.089 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.537 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 98.6 m -67.93 -40.1 83.37 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.304 -0.628 . . . . 0.61 109.304 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.671 ' O ' HG23 ' A' ' 24' ' ' VAL . 39.9 t -59.22 -51.41 72.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.061 -0.972 . . . . 0.65 110.289 177.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.8 t -61.56 -27.42 68.61 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.163 -0.926 . . . . 1.22 110.311 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.537 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 12.5 mtm180 -69.8 -35.69 75.06 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.305 -0.628 . . . . 2.65 109.305 178.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.799 HG13 ' HG2' ' A' ' 35' ' ' ARG . 60.3 t -78.5 -43.38 26.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.445 0.64 . . . . 0.92 110.806 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 20' ' ' VAL . 41.2 t -61.82 -48.04 90.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.329 -0.85 . . . . 0.94 112.547 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.591 HD21 ' P ' ' D' ' 14' ' ' ' DT' . 72.6 m-20 -97.7 -17.27 19.53 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 114.991 1.478 . . . . 1.24 114.991 -176.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 88.0 mt-30 -130.7 -117.43 0.23 Allowed 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 121.409 -0.807 . . . . 4.46 111.948 -177.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 152.31 -40.71 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.327 0 O-C-N 125.078 1.486 . . . . 2.66 109.333 -176.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 5.8 t -68.28 150.71 47.92 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.171 -0.677 . . . . 2.08 109.171 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.514 ' O ' ' H71' ' C' ' 4' ' ' ' DT' . 65.9 m170 70.52 16.19 7.04 Favored 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.574 0.702 . . . . 1.63 109.288 -178.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.5 t -134.26 123.35 43.18 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.916 0 CA-C-N 114.786 -1.097 . . . . 1.05 108.408 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.0 p -71.79 144.24 49.24 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 109.142 -0.688 . . . . 1.29 109.142 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.19 -35.76 49.98 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.796 -0.638 . . . . 1.09 112.179 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.26 -47.59 72.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.654 0.264 . . . . 3.08 111.63 -179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -77.2 -42.78 36.14 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.033 0.383 . . . . 0.98 112.033 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.799 ' HG2' HG13 ' A' ' 23' ' ' VAL . 4.9 ttp180 -51.2 -51.73 51.04 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.635 0.606 . . . . 3.63 112.635 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -72.6 -17.68 61.66 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.252 -0.885 . . . . 1.72 111.557 -178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -86.28 -29.84 22.76 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.152 -0.477 . . . . 1.44 110.035 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.521 HG11 ' HA ' ' A' ' 20' ' ' VAL . 93.0 t -79.69 -41.02 21.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.999 0.428 . . . . 0.68 109.861 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -62.9 -27.44 69.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.541 0.686 . . . . 1.7 109.369 178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.59 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -76.2 -34.16 59.28 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.018 -0.992 . . . . 0.78 110.036 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.4 -43.64 89.96 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.35 0.595 . . . . 0.79 110.791 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.6 mtt -59.07 -27.92 65.98 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.982 -1.008 . . . . 0.87 112.804 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.41 -29.64 30.65 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.751 0.786 . . . . 0.93 110.043 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 22.2 mm-40 -70.49 -60.48 2.24 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.657 -1.156 . . . . 1.55 112.241 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.514 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -80.06 -14.17 58.74 Favored 'General case' 0 C--N 1.302 -1.481 0 CA-C-N 114.3 -1.318 . . . . 1.79 111.773 -177.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 69.99 68.92 0.23 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.982 0.801 . . . . 2.2 109.793 -178.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.554 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.6 t80 -80.28 126.66 31.42 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.988 -1.005 . . . . 1.38 110.242 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.81 106.24 55.42 Favored Pre-proline 0 C--N 1.318 -0.773 0 N-CA-C 108.601 -0.889 . . . . 1.39 108.601 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.45 118.74 5.52 Favored 'Trans proline' 0 N--CA 1.475 0.431 0 C-N-CA 122.689 2.259 . . . . 0.78 111.957 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -77.74 97.56 5.22 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-O 121.105 0.478 . . . . 0.69 110.832 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -62.32 -28.97 70.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.596 -0.729 . . . . 4.2 112.002 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.8 OUTLIER -72.77 -34.29 66.88 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.54 -0.541 . . . . 0.7 109.54 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.794 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -70.74 -41.03 72.35 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.173 -0.677 . . . . 0.53 109.173 178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -58.53 -43.01 89.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.36 -1.291 . . . . 1.67 109.243 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -67.81 -34.56 76.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.097 -0.956 . . . . 2.66 111.889 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.601 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 11.7 tp -67.71 -43.83 79.13 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.639 -0.255 . . . . 0.61 110.371 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.83 -19.0 58.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 120.966 0.412 . . . . 0.85 111.098 179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 150.35 -109.76 0.44 Allowed Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 120.699 -0.762 . . . . 1.86 112.062 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -138.46 -167.71 2.24 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.429 -0.582 . . . . 6.17 109.429 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -98.85 -44.19 6.46 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 120.785 -0.366 . . . . 6.76 111.108 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.9 m 63.32 42.25 7.06 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.971 -0.559 . . . . 7.52 111.324 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.4 tp . . . . . 0 C--O 1.253 1.243 0 CA-C-O 118.662 -0.685 . . . . 9.27 109.644 178.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 109.319 -0.623 . . . . 6.54 109.319 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.39 140.98 60.86 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 116.085 -0.507 . . . . 5.5 110.711 -178.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -59.86 121.21 9.47 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.223 1.949 . . . . 1.75 110.966 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.712 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 74.0 t -63.73 160.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.243 -0.651 . . . . 0.83 109.243 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.744 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 32.6 p -135.82 163.19 30.8 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 121.922 -0.486 . . . . 0.68 110.595 -177.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.701 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.5 OUTLIER -51.28 -32.37 24.46 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.236 -0.893 . . . . 0.66 110.627 177.266 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.606 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 17.2 m-85 -66.63 -37.73 85.45 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.251 -0.431 . . . . 1.22 111.131 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -66.65 -41.71 87.82 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.448 -0.575 . . . . 1.45 109.448 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.614 ' HA ' HD23 ' B' ' 45' ' ' LEU . 41.7 t -64.66 -45.35 95.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.282 -0.872 . . . . 0.55 110.355 -179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.508 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -54.71 -52.86 61.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.245 -0.889 . . . . 0.63 111.461 178.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -56.01 -49.37 73.85 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.469 -0.787 . . . . 2.46 111.695 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.512 ' CB ' HD21 ' B' ' 45' ' ' LEU . 15.1 t80 -64.57 -49.89 69.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.713 -0.676 . . . . 1.39 111.881 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.97 -27.56 69.49 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 112.015 0.376 . . . . 0.69 112.015 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.23 44.12 7.69 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.256 -0.973 . . . . 1.09 111.404 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.9 m -133.99 171.86 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 N-CA-C 108.179 -1.045 . . . . 0.62 108.179 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.441 ' O ' ' HB ' ' B' ' 19' ' ' THR . 68.9 m -74.74 155.37 37.75 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 107.618 -1.253 . . . . 1.31 107.618 175.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.459 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -61.55 -43.05 99.57 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 110.091 -0.337 . . . . 1.58 110.091 -178.809 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.479 ' O ' ' HG3' ' B' ' 22' ' ' ARG . 9.9 tp60 -55.33 -38.63 68.99 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.269 0.557 . . . . 0.89 110.455 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' B' ' 16' ' ' SER . 23.5 m -53.44 -40.23 65.02 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.819 -1.082 . . . . 0.64 111.01 178.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.508 HG21 ' HB2' ' B' ' 10' ' ' ALA . 16.7 t -67.48 -45.56 85.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.279 -0.873 . . . . 1.17 110.665 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.403 ' OG ' ' H73' ' C' ' 14' ' ' ' DT' . 38.5 m -52.13 -46.8 65.52 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.848 -1.167 . . . . 1.13 107.848 176.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' B' ' 18' ' ' GLN . 19.1 mtp85 -56.43 -41.2 76.0 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 113.796 -1.547 . . . . 2.87 112.061 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 54.3 t -74.5 -38.55 46.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 111.945 0.35 . . . . 0.86 111.945 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.95 -31.68 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 CA-C-O 121.397 0.618 . . . . 1.03 111.182 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -97.15 -0.51 46.82 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.738 -0.665 . . . . 1.25 111.177 -179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 54.64 44.56 28.44 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.685 0.755 . . . . 3.75 109.963 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.55 173.81 11.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.855 -1.066 . . . . 2.36 110.281 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 1.5 m -89.99 175.21 7.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.915 0.388 . . . . 1.96 110.501 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.413 ' HB2' ' NH2' ' B' ' 22' ' ' ARG . 28.4 m170 71.38 34.9 1.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.578 -0.737 . . . . 1.34 110.899 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -130.28 130.61 65.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.496 -0.557 . . . . 1.1 109.496 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.457 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 35.5 m -71.76 152.22 42.91 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 109.517 -0.549 . . . . 0.98 109.517 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.68 -55.67 21.64 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.649 0.611 . . . . 1.12 112.649 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -54.62 -52.08 63.35 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.079 0.466 . . . . 3.25 110.244 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.459 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -55.72 -34.63 65.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.64 -0.709 . . . . 0.77 112.142 179.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -67.93 -47.12 69.61 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.341 0.591 . . . . 3.59 110.273 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -62.98 -33.68 75.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.983 -1.008 . . . . 1.96 111.658 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -65.17 -35.38 80.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.834 0.35 . . . . 1.91 110.112 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 34' ' ' THR . 59.7 t -71.61 -41.87 71.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.086 -0.506 . . . . 0.62 110.578 178.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.39 -28.49 67.97 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.878 -0.416 . . . . 1.68 109.878 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.77 -44.61 69.82 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.77 109.325 178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.454 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -57.09 -31.53 65.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.444 -1.253 . . . . 0.65 110.733 178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 63.0 mtt -62.85 -20.6 65.25 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.479 -0.782 . . . . 0.71 110.164 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.96 -48.0 7.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.02 -0.537 . . . . 0.9 110.879 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -63.43 -44.42 94.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.865 -0.607 . . . . 1.58 111.588 -179.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.672 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -76.64 -19.08 58.18 Favored 'General case' 0 CA--C 1.505 -0.752 0 CA-C-N 116.42 -0.354 . . . . 1.14 111.129 179.826 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.579 ' O ' HG12 ' B' ' 48' ' ' ILE . 1.8 t30 62.75 46.13 5.4 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 107.8 -1.185 . . . . 1.24 107.8 -175.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.712 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 1.8 t80 -49.92 120.32 4.26 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 114.684 -1.143 . . . . 1.46 110.778 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.579 HG12 ' O ' ' B' ' 46' ' ' ASN . 39.4 mm -132.24 96.21 19.96 Favored Pre-proline 0 N--CA 1.441 -0.885 0 N-CA-C 104.376 -2.453 . . . . 1.34 104.376 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.508 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 10.5 Cg_exo -32.06 121.34 0.09 OUTLIER 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 125.119 3.879 . . . . 0.72 116.165 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.533 ' O ' ' HB2' ' B' ' 54' ' ' GLN . 46.9 t-20 -53.42 124.57 15.18 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 108.41 -0.959 . . . . 0.85 108.41 178.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.455 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 3.2 mpt_? -89.66 -22.86 22.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 120.666 -1.271 . . . . 4.55 111.943 -176.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.403 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 94.8 m -83.37 -51.83 7.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.509 -0.769 . . . . 0.73 110.442 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.77 -46.84 74.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.586 . . . . 0.64 111.272 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.533 ' HB2' ' O ' ' B' ' 50' ' ' ASN . 59.6 mt-30 -65.59 -30.82 71.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.839 0.681 . . . . 1.04 112.839 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 1.0 OUTLIER -63.08 -52.37 62.96 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.601 -1.259 . . . . 2.45 107.601 179.128 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.794 HD11 ' HB2' ' A' ' 53' ' ' ALA . 2.3 mp -53.2 -43.74 67.43 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-N 114.674 -1.148 . . . . 0.65 111.871 178.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.88 -7.13 56.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.433 -0.349 . . . . 1.07 111.322 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.19 46.89 8.75 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.098 -1.049 . . . . 1.6 112.851 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' B' ' 54' ' ' GLN . 51.6 tptt -149.31 158.5 44.23 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 122.443 0.297 . . . . 5.04 110.71 179.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -149.24 -57.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.97 -0.752 . . . . 6.57 108.97 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.2 m -148.63 -69.35 0.22 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.686 -0.688 . . . . 6.55 109.409 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.527 -0.749 . . . . 8.33 109.604 179.75 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.497 -1.691 0 C3'-C2'-C1' 99.084 -2.583 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.472 H2'' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.253 0 C3'-C2'-C1' 99.819 -2.058 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.472 ' C8 ' H2'' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.827 0 O4'-C1'-C2' 103.914 -1.987 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.039 0 O4'-C1'-C2' 103.826 -2.067 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.514 ' H71' ' O ' ' A' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C3'-C2'-C1' 99.857 -2.03 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.463 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.991 0 O4'-C1'-C2' 103.858 -2.038 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.49 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 103.903 -1.997 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.978 0 C3'-C2'-C1' 99.322 -2.413 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.006 0 C3'-C2'-C1' 99.942 -1.97 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C3'-C2'-C1' 98.903 -2.712 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.511 -0.739 0 O4'-C1'-C2' 103.924 -1.978 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.601 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.501 -1.395 0 C3'-C2'-C1' 98.896 -2.717 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.744 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.498 -1.629 0 C3'-C2'-C1' 99.903 -1.998 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.701 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.42 -1.223 0 C5'-C4'-C3' 118.158 2.305 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.488 ' C2 ' ' N7 ' ' C' ' 15' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.6 0 C3'-C2'-C1' 99.943 -1.969 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . 0.488 ' N7 ' ' C2 ' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.002 0 O4'-C1'-C2' 104.1 -1.819 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.461 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.503 -1.286 0 O4'-C1'-C2' 104.137 -1.784 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.461 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.502 -1.327 0 C3'-C2'-C1' 99.818 -2.058 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.222 0 O4'-C1'-C2' 104.179 -1.746 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.126 0 O4'-C1'-C2' 104.084 -1.832 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.433 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C1'-C2' 103.905 -1.995 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.433 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 P--O3' 1.62 1.061 0 C3'-C2'-C1' 99.557 -2.245 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.4 ' H72' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.092 0 C3'-C2'-C1' 99.297 -2.43 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 C4'-C3'-C2' 101.577 -1.623 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.617 0.816 0 C5'-C4'-C3' 116.242 1.028 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.604 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.532 0.817 0 C5'-C4'-C3' 116.718 1.345 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.604 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 0.997 0 C5'-C4'-C3' 116.171 0.981 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.423 " C2'" " H5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 C3'-C2'-C1' 104.884 1.56 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.475 ' C8 ' ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.78 0 C4'-C3'-C2' 104.49 1.29 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.651 ' C6 ' ' H72' ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C3'-C2'-C1' 103.92 0.872 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.651 ' H72' ' C6 ' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C3'-C2'-C1' 104.68 1.415 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.494 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C3'-C2'-C1' 105.582 2.058 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.494 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-N19 108.385 0.731 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.408 H2'' ' OP2' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-C1' 104.177 1.055 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.408 ' OP2' H2'' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C3'-C2'-C1' 106.003 2.359 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.469 " H1'" " H5'" ' D' ' 13' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.733 0 C3'-C2'-C1' 101.594 -0.79 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.539 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.421 -1.218 0 C4'-C3'-C2' 104.6 1.4 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.591 ' P ' HD21 ' A' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-C2' 106.867 0.697 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.485 ' C6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.99 0 O4'-C1'-C2' 108.008 1.735 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.549 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C1'-O4'-C4' 110.596 0.64 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.549 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.878 0.842 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.477 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.226 1.024 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.485 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C5'-C4'-O4' 108.421 -0.612 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.485 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 C3'-C2'-C1' 101.688 -0.723 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.483 " H5'" H2'' ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C3'-C2'-C1' 104.51 1.293 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . 0.458 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 N19-C1'-C2' 116.144 1.215 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 N--CA 1.482 1.14 0 N-CA-C 110.181 -0.303 . . . . 6.94 110.181 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -68.97 113.93 19.71 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.204 -0.453 . . . . 5.85 110.267 178.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.64 147.83 51.99 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.253 1.969 . . . . 1.9 111.923 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.493 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 84.2 t -122.8 130.06 74.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 108.437 -0.949 . . . . 0.99 108.437 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 9' ' ' VAL . 22.6 p -97.41 171.83 8.15 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 113.44 0.904 . . . . 0.72 113.44 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.476 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.7 pt? -66.37 -17.92 65.05 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 114.071 -1.422 . . . . 0.66 109.338 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.61 -40.88 61.28 Favored 'General case' 0 CA--C 1.509 -0.624 0 CA-C-N 115.149 -0.932 . . . . 0.68 110.552 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -64.66 -41.62 95.97 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.586 -1.264 . . . . 1.86 107.586 178.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 5' ' ' THR . 44.1 t -60.01 -47.01 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 CA-C-N 112.863 -1.971 . . . . 0.66 109.044 178.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.06 -36.45 81.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.139 -0.937 . . . . 0.65 111.798 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.15 -46.84 63.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.065 0.46 . . . . 2.41 111.115 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 69.1 t80 -71.09 -28.49 64.37 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.912 -0.586 . . . . 1.68 111.071 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.484 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -84.61 -19.25 33.3 Favored 'General case' 0 N--CA 1.435 -1.204 0 N-CA-C 109.525 -0.546 . . . . 0.71 109.525 -179.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.01 46.6 43.25 Favored Glycine 0 CA--C 1.502 -0.772 0 N-CA-C 110.548 -1.021 . . . . 0.68 110.548 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.7 m -138.5 -169.56 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.994 0 CA-C-N 114.086 -1.057 . . . . 0.62 109.329 -178.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.2 m -102.66 150.34 23.53 Favored 'General case' 0 N--CA 1.434 -1.251 0 N-CA-C 108.606 -0.887 . . . . 1.03 108.606 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.476 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 36.6 p90 -51.28 -38.48 53.03 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.035 -0.53 . . . . 1.38 110.384 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.527 ' NE2' ' N6 ' ' D' ' 16' ' ' ' DA' . 0.0 OUTLIER -60.06 -33.71 72.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 2.08 111.302 176.462 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 89.9 m -68.68 -44.4 74.1 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.295 0.569 . . . . 0.61 109.775 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.626 ' HA ' HG11 ' A' ' 38' ' ' VAL . 71.4 t -61.16 -46.89 95.74 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 CA-C-N 115.08 -0.964 . . . . 0.65 110.139 178.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -61.39 -32.9 72.85 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 115.496 -0.774 . . . . 1.22 110.942 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.574 ' HB3' ' CG2' ' A' ' 30' ' ' VAL . 24.9 mtm180 -68.89 -30.3 68.77 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.857 -0.794 . . . . 2.65 108.857 179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 79.2 t -78.21 -45.09 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.42 0 CA-C-N 115.605 -0.725 . . . . 0.92 109.422 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 20' ' ' VAL . 26.0 t -60.63 -43.06 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 115.562 -0.744 . . . . 0.94 109.423 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -64.65 -32.35 73.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.073 -0.967 . . . . 1.24 110.94 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 67.84 47.02 1.17 Allowed 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.415 0.447 . . . . 4.46 110.958 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.19 -151.48 0.46 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.234 0.54 . . . . 2.66 110.644 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -99.81 -172.65 2.28 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.714 -0.847 . . . . 2.08 108.714 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.7 m170 66.87 25.76 9.44 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.833 -0.432 . . . . 1.63 109.833 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.574 ' CG2' ' HB3' ' A' ' 22' ' ' ARG . 32.3 t -135.21 120.74 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.675 0 CA-C-N 115.485 -0.779 . . . . 1.05 109.953 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 p -78.84 137.75 37.84 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.703 -0.851 . . . . 1.29 108.703 179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -51.57 -39.64 58.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.588 -0.733 . . . . 1.09 112.512 -178.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -51.03 65.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.469 0.652 . . . . 3.08 111.372 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.539 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -71.86 -36.12 70.02 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 115.109 -0.95 . . . . 0.98 111.825 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -57.84 -48.64 79.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.13 0.49 . . . . 3.63 111.229 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 22.4 mt-10 -71.07 -19.48 62.47 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.542 -0.754 . . . . 1.72 112.823 -178.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 14.6 ptpt -85.62 -28.98 24.43 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.185 -0.606 . . . . 1.44 109.695 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.626 HG11 ' HA ' ' A' ' 20' ' ' VAL . 88.8 t -80.06 -41.36 21.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.305 -0.861 . . . . 0.68 109.482 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -62.23 -29.25 70.27 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 108.191 -1.041 . . . . 1.7 108.191 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.606 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -72.75 -40.18 66.25 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 114.366 -1.288 . . . . 0.78 110.433 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.97 -38.91 87.6 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.833 -0.622 . . . . 0.79 110.621 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.545 ' HG3' ' O ' ' A' ' 38' ' ' VAL . 30.8 mtt -64.27 -23.69 67.39 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.198 -0.91 . . . . 0.87 111.275 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.72 -32.86 20.21 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 121.567 0.699 . . . . 0.93 110.237 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 47.2 mm-40 -67.77 -59.39 3.35 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.575 -1.193 . . . . 1.55 111.539 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' O ' HG21 ' A' ' 4' ' ' VAL . 0.4 OUTLIER -80.99 -11.38 59.57 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.179 -1.373 . . . . 1.79 111.94 -177.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 67.57 61.65 0.45 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.607 0.718 . . . . 2.2 110.73 -178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.493 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 10.7 t80 -78.97 129.93 35.0 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.105 -0.952 . . . . 1.38 112.143 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -114.74 112.46 45.26 Favored Pre-proline 0 N--CA 1.446 -0.63 0 CA-C-N 115.496 -0.774 . . . . 1.39 109.655 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -63.5 120.68 8.19 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.465 2.11 . . . . 0.78 111.892 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.532 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 51.1 m-80 -77.48 100.2 5.94 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.35 -0.841 . . . . 0.69 111.253 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.515 ' HD2' ' OE1' ' A' ' 54' ' ' GLN . 6.6 mmm180 -59.68 -30.19 68.6 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.191 -0.459 . . . . 4.2 112.057 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.2 m -69.4 -33.48 73.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.894 0.378 . . . . 0.7 111.06 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -74.97 -39.6 61.21 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.385 0.612 . . . . 0.53 109.389 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.551 ' HG2' " O3'" ' D' ' 13' ' ' ' DC' . 43.4 mt-30 -64.92 -37.69 88.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.964 -1.016 . . . . 1.67 109.53 178.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.0 -31.66 68.25 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.656 -0.702 . . . . 2.66 109.228 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.722 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 9.9 tp -68.93 -52.7 26.55 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.45 -0.795 . . . . 0.61 111.61 179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.86 -14.66 61.54 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.625 0.972 . . . . 0.85 113.625 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -154.37 56.59 0.41 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 118.942 -1.599 . . . . 1.86 114.019 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -70.41 -26.27 63.61 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.975 0.417 . . . . 6.17 110.888 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.421 ' HA ' HE21 ' A' ' 60' ' ' GLN . 0.1 OUTLIER -71.45 1.27 6.64 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.852 -0.613 . . . . 6.76 112.17 -178.345 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.6 p -77.83 -22.67 49.62 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.458 -0.571 . . . . 7.52 109.458 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 54.2 mt . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.352 -0.84 . . . . 9.27 110.079 179.509 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.718 -0.475 . . . . 6.54 109.718 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -72.1 -45.41 11.27 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 112.725 0.639 . . . . 5.5 112.725 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.93 127.28 24.27 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 121.805 1.67 . . . . 1.75 111.425 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.698 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 99.4 t -84.38 163.92 2.7 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.036 0 CA-C-N 115.453 -0.794 . . . . 0.83 110.895 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.656 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 23.0 p -133.52 158.18 43.79 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-N 116.349 -0.387 . . . . 0.68 110.188 -177.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.526 HD21 HG13 ' B' ' 20' ' ' VAL . 0.8 OUTLIER -54.52 -30.5 53.86 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.913 0.387 . . . . 0.66 110.914 177.039 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.556 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 33.4 m-85 -65.89 -34.85 79.09 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.854 -0.612 . . . . 1.22 111.466 -178.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -70.55 -36.95 73.95 Favored 'General case' 0 CA--C 1.51 -0.561 0 N-CA-C 109.377 -0.601 . . . . 1.45 109.377 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.605 ' HA ' HD23 ' B' ' 45' ' ' LEU . 31.5 t -64.83 -45.28 95.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.26 -0.882 . . . . 0.55 110.455 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.741 ' HB2' HG11 ' B' ' 20' ' ' VAL . . . -55.2 -54.76 39.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.651 -0.704 . . . . 0.63 111.134 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.89 -44.67 94.09 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.091 -0.959 . . . . 2.46 112.885 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.568 ' CB ' HD21 ' B' ' 45' ' ' LEU . 50.3 t80 -63.8 -43.07 97.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.995 0.426 . . . . 1.39 111.447 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.679 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -73.59 -23.1 59.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.785 -0.643 . . . . 0.69 111.523 -178.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.03 44.5 7.6 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.401 -0.905 . . . . 1.09 111.497 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 22.5 m -131.32 171.77 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.728 0 N-CA-C 109.416 -0.587 . . . . 0.62 109.416 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 53.9 m -76.66 162.66 27.55 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 108.324 -0.991 . . . . 1.31 108.324 177.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.46 ' OH ' ' C5 ' ' C' ' 13' ' ' ' DA' . 0.0 OUTLIER -67.48 -40.13 85.27 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.742 -0.383 . . . . 1.58 110.492 -178.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -58.35 -27.88 64.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.78 0.8 . . . . 0.89 110.516 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 8.2 m -67.24 -50.48 60.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.099 -0.955 . . . . 0.64 112.383 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.741 HG11 ' HB2' ' B' ' 10' ' ' ALA . 2.7 p -62.02 -43.81 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.559 -0.291 . . . . 1.17 110.897 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.451 ' CB ' ' H73' ' C' ' 14' ' ' ' DT' . 3.6 m -57.12 -50.57 72.39 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.533 0.683 . . . . 1.13 109.24 176.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.401 ' HD2' HH11 ' B' ' 22' ' ' ARG . 18.4 mtt85 -50.1 -39.77 43.69 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 114.735 -1.121 . . . . 2.87 112.689 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.633 HG11 ' HB ' ' B' ' 38' ' ' VAL . 56.1 t -69.82 -37.7 73.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.132 0.491 . . . . 0.86 110.975 -178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.44 HG22 ' HE1' ' B' ' 42' ' ' MET . 24.2 t -61.12 -34.06 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 CA-C-N 115.575 -0.739 . . . . 1.03 111.007 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.487 HD21 ' P ' ' C' ' 14' ' ' ' DT' . 46.0 m-80 -100.75 2.42 41.3 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.349 -0.387 . . . . 1.25 111.703 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 75.0 -53.06 0.67 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.912 0.885 . . . . 3.75 109.206 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.2 -129.24 0.41 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 113.484 -1.689 . . . . 2.36 110.352 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.4 p -158.32 -42.99 0.06 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.272 0.558 . . . . 1.96 109.859 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -85.71 56.95 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.73 -0.668 . . . . 1.34 110.053 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.5 t -136.39 130.14 47.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.778 -0.646 . . . . 1.1 110.618 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.604 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 18.4 m -78.67 150.22 32.65 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.346 -0.612 . . . . 0.98 109.346 178.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -54.44 -51.59 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.095 0.405 . . . . 1.12 112.095 -178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -56.3 -51.69 67.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.856 -0.611 . . . . 3.25 111.016 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.604 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -56.71 -39.1 73.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.288 -0.414 . . . . 0.77 111.302 179.401 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.52 ' HG3' HG13 ' B' ' 23' ' ' VAL . 37.4 ttt180 -66.34 -47.36 73.75 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.906 0.384 . . . . 3.59 110.928 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -64.54 -34.5 78.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 1.96 111.21 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.679 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 13.5 tppt? -58.95 -47.83 83.69 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.203 0.525 . . . . 1.91 109.764 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.633 ' HB ' HG11 ' B' ' 23' ' ' VAL . 61.0 t -66.23 -40.28 86.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.595 -0.73 . . . . 0.62 111.412 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.64 -36.95 85.9 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 110.07 -0.344 . . . . 1.68 110.07 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.88 -49.07 69.42 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.183 0.516 . . . . 0.77 109.961 178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.38 63.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.413 -0.812 . . . . 0.65 111.359 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.528 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 62.1 mtt -59.2 -23.26 62.11 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.917 0.389 . . . . 0.71 111.104 179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.54 -46.4 8.34 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.619 -0.719 . . . . 0.9 111.027 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.412 ' H ' ' HG2' ' B' ' 44' ' ' GLU . 4.4 mm-40 -60.96 -37.86 83.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.606 0.717 . . . . 1.58 111.22 -178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.675 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -82.94 -17.87 42.06 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.89 -1.05 . . . . 1.14 112.394 -179.252 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.498 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.2 OUTLIER 66.15 39.0 4.45 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 106.859 -1.534 . . . . 1.24 106.859 -174.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.698 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 6.0 t80 -56.78 121.26 9.4 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-N 114.671 -1.15 . . . . 1.46 111.084 -178.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.498 HG12 ' O ' ' B' ' 46' ' ' ASN . 15.9 mm -127.01 102.83 24.07 Favored Pre-proline 0 N--CA 1.431 -1.391 0 N-CA-C 104.883 -2.266 . . . . 1.34 104.883 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -34.6 123.59 0.18 Allowed 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.951 3.101 . . . . 0.72 114.845 -177.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' B' ' 54' ' ' GLN . 53.3 t-20 -66.03 81.9 0.08 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.319 -0.855 . . . . 0.85 110.825 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -51.5 -16.68 0.63 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.153 0.981 . . . . 4.55 113.569 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.412 ' HB2' ' OD1' ' B' ' 50' ' ' ASN . 60.1 m -79.38 -56.32 4.42 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.37 -0.377 . . . . 0.73 110.354 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.401 ' HB3' " H4'" ' C' ' 12' ' ' ' DG' . . . -78.23 -30.35 48.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.507 -0.315 . . . . 0.64 111.194 179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.52 ' HG2' H5'' ' C' ' 13' ' ' ' DA' . 21.2 mt-30 -62.02 -44.13 97.37 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 116.499 -0.319 . . . . 1.04 110.269 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -60.16 -46.36 89.94 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.598 -0.89 . . . . 2.45 108.598 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.643 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.5 mp -55.64 -49.64 72.33 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 115.507 -0.77 . . . . 0.65 111.575 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.31 -1.39 10.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.001 -0.545 . . . . 1.07 112.335 -177.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.93 41.79 10.24 Favored Glycine 0 C--N 1.334 0.421 0 C-N-CA 121.111 -0.566 . . . . 1.6 112.386 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.429 ' HD2' H5'' ' C' ' 13' ' ' ' DA' . 5.0 tttm -132.59 140.64 48.33 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.931 0.345 . . . . 5.04 111.931 -178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -175.7 -22.8 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 O-C-N 123.25 0.344 . . . . 6.57 111.754 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -42.12 61.54 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.228 0.537 . . . . 6.55 111.386 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 39.5 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 117.975 -1.012 . . . . 8.33 109.572 -179.626 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.498 -1.662 0 C3'-C2'-C1' 99.567 -2.238 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.533 H2'' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.758 0 C3'-C2'-C1' 99.538 -2.259 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.533 ' C8 ' H2'' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 103.897 -2.003 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.752 ' C6 ' ' H72' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-C1' 99.996 -1.931 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.752 ' H72' ' C6 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C3'-C2'-C1' 100.014 -1.918 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.452 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.157 0 O4'-C1'-C2' 104.067 -1.848 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.452 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.858 0 C3'-C2'-C1' 99.367 -2.381 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.27 0 C3'-C2'-C1' 99.159 -2.529 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.402 ' C6 ' ' C6 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.505 -1.157 0 C3'-C2'-C1' 99.382 -2.37 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.457 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.579 0 C3'-C2'-C1' 99.398 -2.358 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.457 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.815 0 O4'-C1'-C2' 103.736 -2.149 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.722 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.499 -1.591 0 C3'-C2'-C1' 98.275 -3.16 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.656 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.584 -1.911 0 C3'-C2'-C1' 99.832 -2.049 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.52 H5'' ' HG2' ' B' ' 54' ' ' GLN . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 C3'-C2'-C1' 99.384 -2.368 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.487 ' P ' HD21 ' B' ' 25' ' ' ASN . . . . . . . . 0 P--O3' 1.591 -1.336 0 C3'-C2'-C1' 99.825 -2.054 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . 0.476 ' N7 ' ' C2 ' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.038 0 C3'-C2'-C1' 99.937 -1.974 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.425 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.011 0 O4'-C1'-C2' 104.07 -1.846 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.425 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C5'-C4'-C3' 117.88 2.12 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.961 0 C3'-C2'-C1' 99.885 -2.011 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.102 0 O4'-C1'-C2' 104.124 -1.796 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.477 H2'' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.598 -0.747 0 C3'-C2'-C1' 99.676 -2.16 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.477 ' H71' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.122 0 C3'-C2'-C1' 99.197 -2.502 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.435 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.454 0.761 0 O4'-C1'-C2' 103.778 -2.111 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . 0.402 H2'' ' OP2' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.092 0 C3'-C2'-C1' 101.65 -0.75 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.413 H2'' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.723 0 C4'-C3'-C2' 102.221 -0.979 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.413 " C2'" ' H71' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-C2' 107.434 1.212 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.413 ' H71' " C2'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C1'-O4'-C4' 110.79 0.779 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.527 0.894 0 C3'-C2'-C1' 105.435 1.954 . . . . 0.83 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.674 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.796 0 C4'-C3'-C2' 104.0 0.8 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.674 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-C2' 107.444 1.222 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.457 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.887 0 C3'-C2'-C1' 104.883 1.559 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.513 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.891 0 O4'-C1'-C2' 107.004 0.822 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.513 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-C2' 105.379 -0.656 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.466 H2'' ' OP2' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 C5'-C4'-C3' 115.845 0.764 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.469 H2'' " O5'" ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C3'-C2'-C1' 105.913 2.295 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.609 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C3'-C2'-C1' 101.556 -0.817 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.551 " O3'" ' HG2' ' A' ' 54' ' ' GLN . . . . . . . . 0 C2'--C1' 1.507 -0.998 0 C5'-C4'-C3' 117.114 1.61 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.494 ' C2 ' ' C4 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.877 0 C5'-C4'-O4' 108.176 -0.765 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.512 ' N4 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 P--O3' 1.621 1.176 0 O4'-C1'-C2' 107.765 1.514 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.527 ' N6 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C5'-C4'-C3' 116.131 0.954 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.46 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 P--O3' 1.615 0.637 0 N19-C1'-C2' 115.117 0.573 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.462 ' C6 ' ' N6 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C5'-C4'-C3' 116.142 0.962 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.508 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 102.476 -0.724 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.514 " C2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 N19-C1'-C2' 115.225 0.641 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.514 ' H71' " C2'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C3'-C2'-C1' 104.343 1.173 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . 0.492 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 N19-C1'-C2' 115.682 0.926 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 ttp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 109.775 -0.454 . . . . 6.94 109.775 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -71.28 156.87 91.17 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.344 -0.389 . . . . 5.85 110.402 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.96 147.7 91.84 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.788 1.659 . . . . 1.9 109.803 177.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.637 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 3.3 t -95.76 169.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 N-CA-C 109.031 -0.729 . . . . 0.99 109.031 -178.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.51 ' H ' HG12 ' A' ' 4' ' ' VAL . 25.2 p -135.59 163.15 30.77 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.174 -0.676 . . . . 0.72 109.174 -179.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.454 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.9 pt? -65.24 -17.61 64.63 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.669 -0.493 . . . . 0.66 109.669 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -76.76 -37.21 56.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.854 -0.612 . . . . 0.68 109.705 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.75 -38.24 89.77 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 122.689 1.233 . . . . 1.86 108.063 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 5' ' ' THR . 21.2 t -68.76 -47.85 74.21 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 113.167 -1.833 . . . . 0.66 109.77 179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.83 -44.81 91.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.479 -0.782 . . . . 0.65 110.92 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.39 -52.44 61.64 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.091 -0.504 . . . . 2.41 110.693 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.521 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 32.0 t80 -65.95 -25.66 67.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.027 -0.533 . . . . 1.68 111.93 -178.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.458 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -93.16 -17.36 23.83 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-O 120.903 0.382 . . . . 0.71 110.417 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.75 37.53 26.16 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.286 -0.726 . . . . 0.68 111.286 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 13' ' ' ALA . 26.9 m -133.24 179.09 4.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 114.79 -0.705 . . . . 0.62 110.11 -178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.4 m -88.06 159.96 18.03 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 108.916 -0.772 . . . . 1.03 108.916 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.454 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 17.1 p90 -58.82 -41.93 88.0 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.98 -0.688 . . . . 1.38 109.385 -179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.573 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -60.95 -29.08 69.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.021 -0.536 . . . . 2.08 111.596 177.791 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.403 ' HB ' ' HB ' ' A' ' 15' ' ' VAL . 93.0 m -68.04 -39.09 83.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.021 -0.733 . . . . 0.61 109.021 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.635 ' O ' HG23 ' A' ' 24' ' ' VAL . 95.2 t -63.03 -50.22 80.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.087 -0.961 . . . . 0.65 110.662 177.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 m -60.67 -29.89 69.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.449 -0.342 . . . . 1.22 111.29 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 33.3 mtm180 -72.14 -28.88 63.54 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.706 -0.479 . . . . 2.65 109.706 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.415 HG13 ' HG3' ' A' ' 35' ' ' ARG . 74.5 t -84.04 -40.66 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.92 110.317 179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 20' ' ' VAL . 51.8 t -65.96 -51.09 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 115.543 -0.753 . . . . 0.94 111.648 -178.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.546 HD21 ' P ' ' D' ' 14' ' ' ' DT' . 43.0 m-80 -80.19 -33.68 38.05 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.137 -0.938 . . . . 1.24 113.366 -178.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.499 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 54.2 mt-30 -133.45 -109.31 0.23 Allowed 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 120.495 -0.482 . . . . 4.46 111.052 -177.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 158.43 -34.45 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.251 0 O-C-N 124.611 1.194 . . . . 2.66 110.392 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.94 155.71 39.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.427 -0.806 . . . . 2.08 110.846 -179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.403 ' O ' ' H71' ' C' ' 4' ' ' ' DT' . 54.5 m170 68.82 17.03 8.83 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.368 0.604 . . . . 1.63 110.941 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.48 131.83 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 107.37 -1.344 . . . . 1.05 107.37 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.402 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 2.8 m -54.82 139.9 38.28 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 121.747 0.784 . . . . 1.29 110.713 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.02 -8.68 39.62 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.402 -0.817 . . . . 1.09 112.462 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.49 -36.59 12.37 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.387 -1.338 . . . . 3.08 107.387 -177.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -75.86 -36.32 59.6 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 114.645 -1.161 . . . . 0.98 112.505 -179.673 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HG3' HG13 ' A' ' 23' ' ' VAL . 47.8 ttp180 -52.43 -50.1 63.25 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 112.624 0.601 . . . . 3.63 112.624 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -72.6 -21.46 61.12 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.073 0.463 . . . . 1.72 111.125 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -81.84 -31.14 31.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.731 -0.668 . . . . 1.44 110.386 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 34' ' ' THR . 89.1 t -76.23 -43.39 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 109.127 -0.694 . . . . 0.68 109.127 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -63.99 -27.72 69.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.371 -0.831 . . . . 1.7 109.453 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.46 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -74.57 -35.01 63.05 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.162 -0.926 . . . . 0.78 109.984 178.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.53 87.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.504 . . . . 0.79 110.384 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.0 mtt -64.4 -26.8 68.62 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.69 -0.686 . . . . 0.87 112.074 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.49 -30.69 37.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.007 0.908 . . . . 0.93 109.676 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.521 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 59.9 mm-40 -70.12 -59.16 3.06 Favored 'General case' 0 CA--C 1.498 -1.039 0 CA-C-N 114.116 -1.402 . . . . 1.55 110.822 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.61 -14.72 57.95 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 113.113 -1.858 . . . . 1.79 111.85 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.84 55.49 1.62 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.438 0.637 . . . . 2.2 110.184 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.637 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 11.6 t80 -71.97 125.82 28.18 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.287 -0.87 . . . . 1.38 111.915 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.88 114.83 53.92 Favored Pre-proline 0 N--CA 1.443 -0.823 0 N-CA-C 108.727 -0.842 . . . . 1.39 108.727 177.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.92 118.61 5.49 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.794 2.33 . . . . 0.78 111.745 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.52 ' HB2' ' OP1' ' D' ' 13' ' ' ' DC' . 5.7 m-20 -70.91 100.54 1.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.653 0.612 . . . . 0.69 112.653 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.1 mmt-85 -64.1 -20.78 66.2 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.354 -0.839 . . . . 4.2 111.786 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -77.9 -48.92 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.744 0.307 . . . . 0.7 110.561 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.773 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -65.11 -38.81 91.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.154 -0.684 . . . . 0.53 109.154 177.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.45 HE21 ' HB2' ' A' ' 54' ' ' GLN . 3.4 tp-100 -53.23 -44.53 68.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.638 -1.165 . . . . 1.67 110.02 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -70.98 -36.02 72.35 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.433 -0.803 . . . . 2.66 109.988 179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.716 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 7.2 tp -64.83 -52.94 54.06 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.999 -0.546 . . . . 0.61 111.693 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.74 -20.95 66.46 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.475 0.917 . . . . 0.85 113.475 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.65 107.99 0.54 Allowed Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.533 -0.841 . . . . 1.86 113.126 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.5 ' HZ1' " C3'" ' D' ' 14' ' ' ' DT' . 0.0 OUTLIER -63.44 -27.66 69.44 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.152 0.501 . . . . 6.17 110.031 178.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -93.19 -71.35 0.66 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.745 -0.661 . . . . 6.76 110.842 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.3 m 59.8 36.12 22.08 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.813 -0.631 . . . . 7.52 111.22 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.5 mt . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.548 -0.739 . . . . 9.27 110.198 179.654 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.472 0.66 0 CA-C-O 121.08 0.467 . . . . 6.54 109.999 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -111.92 124.82 31.45 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 115.943 -0.571 . . . . 5.5 110.363 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.77 130.38 18.0 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.969 1.78 . . . . 1.75 110.893 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.703 HG21 ' O ' ' B' ' 45' ' ' LEU . 97.0 t -75.93 158.62 5.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.136 -0.69 . . . . 0.83 109.136 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.756 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 39.2 p -135.19 161.35 35.6 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.263 0.554 . . . . 0.68 111.273 -177.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.597 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.6 OUTLIER -50.41 -31.0 13.73 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.016 -0.993 . . . . 0.66 110.443 178.059 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.657 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 17.1 m-85 -69.44 -35.31 75.54 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.901 -0.591 . . . . 1.22 111.316 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -69.73 -35.85 75.35 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 108.926 -0.768 . . . . 1.45 108.926 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.586 ' HA ' HD23 ' B' ' 45' ' ' LEU . 42.9 t -67.76 -43.71 86.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.158 -0.928 . . . . 0.55 110.283 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.494 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -58.21 -49.55 76.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.489 -0.778 . . . . 0.63 111.576 179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.13 -45.21 94.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.272 -0.877 . . . . 2.46 111.605 -179.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.521 ' CB ' HD21 ' B' ' 45' ' ' LEU . 26.8 t80 -65.94 -50.62 63.75 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 111.822 0.305 . . . . 1.39 111.822 -178.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.409 ' HB1' ' CG ' ' B' ' 37' ' ' LYS . . . -67.16 -31.39 71.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 120.535 -0.466 . . . . 0.69 111.568 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.8 43.55 4.14 Favored Glycine 0 C--N 1.321 -0.302 0 C-N-CA 120.244 -0.979 . . . . 1.09 112.614 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.2 m -134.24 169.08 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 N-CA-C 108.104 -1.073 . . . . 0.62 108.104 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' B' ' 19' ' ' THR . 70.4 m -73.97 151.04 40.42 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 107.735 -1.209 . . . . 1.31 107.735 177.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.502 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -56.27 -40.92 74.99 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 110.374 -0.232 . . . . 1.58 110.374 -179.424 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -54.91 -38.6 67.84 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.524 0.678 . . . . 0.89 110.696 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' B' ' 16' ' ' SER . 27.5 m -55.59 -36.97 67.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.827 -1.078 . . . . 0.64 111.415 178.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.494 HG21 ' HB2' ' B' ' 10' ' ' ALA . 3.6 t -67.93 -48.06 76.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-N 115.721 -0.672 . . . . 1.17 110.215 179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.454 ' OG ' ' H73' ' C' ' 14' ' ' ' DT' . 72.4 m -51.97 -48.41 64.37 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.933 -1.136 . . . . 1.13 107.933 176.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -55.04 -38.12 67.57 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 113.826 -1.534 . . . . 2.87 112.978 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.417 HG22 ' HD3' ' B' ' 35' ' ' ARG . 55.1 t -76.34 -42.3 36.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.79 -0.448 . . . . 0.86 109.79 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.65 -37.86 67.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-N 115.734 -0.666 . . . . 1.03 111.818 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.402 HD21 ' P ' ' C' ' 14' ' ' ' DT' . 27.0 m-80 -90.43 -4.88 56.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.97 -0.559 . . . . 1.25 111.135 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 56.76 39.39 29.67 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.695 0.76 . . . . 3.75 109.831 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.66 168.82 19.06 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.496 -1.229 . . . . 2.36 110.94 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.21 176.4 9.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 1.96 111.667 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 25.2 m170 67.84 26.39 7.64 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.455 -0.793 . . . . 1.34 110.767 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.662 ' HB ' ' NH2' ' B' ' 35' ' ' ARG . 49.9 t -119.98 124.99 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 115.396 -0.82 . . . . 1.1 110.054 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.52 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 49.0 m -68.1 152.12 45.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.601 -0.272 . . . . 0.98 110.758 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.55 -52.92 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 1.12 112.111 -178.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -53.26 -55.18 26.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.962 -0.563 . . . . 3.25 110.122 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.573 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -53.43 -38.78 63.82 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.38 -0.827 . . . . 0.77 111.485 178.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.662 ' NH2' ' HB ' ' B' ' 30' ' ' VAL . 8.2 tpp180 -63.61 -55.67 21.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.199 0.523 . . . . 3.59 109.829 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.14 -37.12 79.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.135 -0.939 . . . . 1.96 111.877 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.409 ' CG ' ' HB1' ' B' ' 13' ' ' ALA . 4.6 ttmm -63.25 -36.68 84.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.308 -0.405 . . . . 1.91 110.861 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.573 HG23 ' O ' ' B' ' 34' ' ' THR . 94.2 t -75.86 -39.63 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.294 -0.412 . . . . 0.62 110.992 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -68.12 -26.97 66.07 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.328 -0.396 . . . . 1.68 110.648 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.44 -48.97 36.85 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.43 -0.805 . . . . 0.77 110.171 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.502 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -54.24 -28.94 44.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.227 -0.897 . . . . 0.65 111.177 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 65.3 mtt -60.91 -22.4 64.31 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.255 -0.884 . . . . 0.71 109.97 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.58 -49.45 8.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.494 . . . . 0.9 111.008 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.6 -48.83 78.32 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.484 0.659 . . . . 1.58 110.995 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.703 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.1 OUTLIER -73.18 -18.66 61.24 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.171 -0.922 . . . . 1.14 112.398 -178.713 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.23 41.31 2.56 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.623 -1.621 . . . . 1.24 106.623 -174.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.653 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.4 t80 -54.47 119.14 4.82 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 115.041 -0.982 . . . . 1.46 110.848 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 60.1 mt -134.23 100.16 13.01 Favored Pre-proline 0 N--CA 1.436 -1.168 0 N-CA-C 102.505 -3.146 . . . . 1.34 102.505 177.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.536 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.4 OUTLIER -29.76 125.77 0.06 OUTLIER 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 124.722 3.615 . . . . 0.72 116.014 -174.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.576 ' HB2' HG22 ' B' ' 5' ' ' THR . 40.6 t-20 -63.68 78.76 0.03 OUTLIER 'General case' 0 C--N 1.346 0.457 0 CA-C-N 114.737 -1.12 . . . . 0.85 109.599 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 11.0 mmm180 -48.72 -26.51 2.36 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.879 -1.055 . . . . 4.55 112.966 -178.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 56.1 m -67.28 -63.41 1.06 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.981 0.42 . . . . 0.73 110.955 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.65 65.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.041 -0.527 . . . . 0.64 111.315 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.536 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 9.5 mt-30 -66.83 -27.04 67.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.858 -0.61 . . . . 1.04 111.751 -179.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.452 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 1.5 mt-30 -91.22 -21.08 21.29 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.642 -0.873 . . . . 2.45 108.642 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.773 HD11 ' HB2' ' A' ' 53' ' ' ALA . 1.7 tp -74.61 -48.82 24.31 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.877 -1.056 . . . . 0.65 109.918 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.92 5.2 3.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 1.07 111.477 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 149.98 -86.5 0.15 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.631 -0.795 . . . . 1.6 112.229 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? 171.84 118.66 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.721 0.296 . . . . 5.04 111.364 -178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -156.07 132.12 9.92 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.195 -0.457 . . . . 6.57 110.107 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 6.1 m -100.89 -71.11 0.72 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.256 -0.646 . . . . 6.55 109.256 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.602 0 N-CA-C 108.781 -0.822 . . . . 8.33 108.781 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . 0.56 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.501 -1.438 0 C3'-C2'-C1' 99.248 -2.465 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.56 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.076 0 C3'-C2'-C1' 99.716 -2.131 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.409 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 103.646 -2.231 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.453 " H1'" " H5'" ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 O4'-C1'-C2' 103.912 -1.989 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.453 " H5'" " H1'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.503 -1.276 0 C3'-C2'-C1' 99.404 -2.354 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.45 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.954 0 C5'-C4'-C3' 117.307 1.738 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.45 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 C3'-C2'-C1' 99.663 -2.169 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . 0.465 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.027 0 C3'-C2'-C1' 99.493 -2.291 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.465 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.026 0 C3'-C2'-C1' 99.354 -2.39 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.452 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.514 -0.53 0 C3'-C2'-C1' 98.877 -2.731 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.452 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-C2' 103.923 -1.979 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.716 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.498 -1.616 0 C3'-C2'-C1' 98.629 -2.908 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.756 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.495 -1.841 0 O4'-C1'-C2' 103.889 -2.01 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.597 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C5'-C4'-C3' 118.282 2.388 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.454 ' H73' ' OG ' ' B' ' 21' ' ' SER . . . . . . . . 0 C2'--C1' 1.507 -1.03 0 O4'-C1'-C2' 104.173 -1.752 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.969 0 C3'-C2'-C1' 100.173 -1.805 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.404 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.084 0 O4'-C1'-C2' 104.163 -1.761 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.404 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.914 0 O4'-C1'-C2' 104.059 -1.856 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.001 0 C3'-C2'-C1' 99.577 -2.23 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 O4'-C1'-C2' 104.08 -1.836 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.91 0 C3'-C2'-C1' 99.792 -2.077 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.455 0.828 0 C3'-C2'-C1' 99.637 -2.188 . . . . 1.84 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 98.995 -2.647 . . . . 2.17 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.189 0 C3'-C2'-C1' 100.944 -1.254 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.421 H2'' ' OP2' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-C2' 107.061 0.873 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.537 H2'' " C5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C4'-C3' 104.323 -1.277 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.537 " C5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C4'-C3' 104.721 -0.879 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.417 ' H72' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.411 -0.729 0 C3'-C2'-C1' 105.55 2.036 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.463 ' C8 ' ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.511 -0.736 0 C4'-C3'-C2' 104.296 1.096 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.463 ' H72' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 107.311 1.101 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.479 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 105.601 2.072 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.479 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 P--O3' 1.616 0.761 0 C3'-C2'-C1' 104.297 1.141 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.491 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.633 0 C5'-C4'-O4' 108.154 -0.779 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.491 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 C5'-C4'-O4' 108.178 -0.764 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.549 H2'' " O5'" ' D' ' 12' ' ' ' DG' . . . . . . . . 0 P--O3' 1.62 1.114 0 C3'-C2'-C1' 106.494 2.71 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.573 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 P--O3' 1.622 1.233 0 C3'-C2'-C1' 100.206 -1.781 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.602 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 P--O3' 1.619 1.019 0 C3'-C2'-C1' 105.296 1.855 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.567 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.412 -0.579 0 C3'-C2'-C1' 104.907 1.577 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.567 ' C6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 P--O3' 1.615 0.684 0 O4'-C1'-C2' 107.969 1.699 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.527 " H1'" " H5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 C4'-C3'-C2' 102.453 -0.747 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.527 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C4'-C3' 106.177 0.577 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.426 ' OP2' H2'' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-C2' 106.74 0.582 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.466 " H1'" " H5'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.076 0 C4'-C3'-C2' 104.092 0.892 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.466 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C5'-C4'-C3' 116.339 1.093 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.477 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.955 0 C3'-C2'-C1' 105.128 1.734 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . 0.477 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.649 0 O4'-C1'-C2' 107.21 1.009 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 ptp . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.795 0.331 . . . . 6.94 110.831 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -131.27 112.82 15.66 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 116.301 -0.409 . . . . 5.85 110.871 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -68.41 115.21 3.76 Favored 'Trans proline' 0 N--CA 1.454 -0.836 0 C-N-CA 121.525 1.483 . . . . 1.9 108.829 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.56 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 3.8 t -100.53 170.37 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 N-CA-C 108.713 -0.847 . . . . 0.99 108.713 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.545 ' H ' HG12 ' A' ' 4' ' ' VAL . 55.6 p -136.08 159.06 42.87 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.106 -1.072 . . . . 0.72 108.106 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.52 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.6 pt? -62.51 -15.85 52.6 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.177 0.513 . . . . 0.66 109.855 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -78.8 -36.74 42.26 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.736 -0.666 . . . . 0.68 110.59 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -63.51 -38.37 90.89 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.62 1.2 . . . . 1.86 107.785 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.6 t -66.7 -44.92 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.125 0 CA-C-N 112.72 -2.036 . . . . 0.66 109.873 178.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.464 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -65.14 -35.68 81.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.281 -0.872 . . . . 0.65 111.538 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -71.13 -50.37 34.18 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.682 -0.69 . . . . 2.41 110.542 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.499 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 51.7 t80 -67.32 -23.01 65.59 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.535 -0.757 . . . . 1.68 111.472 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.514 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -93.35 -23.04 18.6 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 121.693 -0.629 . . . . 0.71 110.024 -179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.04 36.72 24.05 Favored Glycine 0 CA--C 1.506 -0.47 0 N-CA-C 110.816 -0.914 . . . . 0.68 110.816 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG22 ' HB3' ' A' ' 13' ' ' ALA . 24.0 m -127.31 -174.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.773 -0.713 . . . . 0.62 110.041 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.7 m -89.14 158.49 17.91 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 107.796 -1.187 . . . . 1.03 107.796 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.52 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 27.1 p90 -61.78 -41.72 98.08 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 119.28 -0.968 . . . . 1.38 109.833 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.541 ' NE2' ' N6 ' ' D' ' 16' ' ' ' DA' . 2.1 mm-40 -60.89 -26.68 67.59 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.99 -0.284 . . . . 2.08 111.027 177.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.8 m -64.36 -42.69 96.07 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.659 0.742 . . . . 0.61 109.297 178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.725 ' O ' HG23 ' A' ' 24' ' ' VAL . 68.4 t -60.64 -52.06 65.84 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 CA-C-N 114.51 -1.223 . . . . 0.65 110.195 177.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.9 t -63.53 -26.88 68.91 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 120.913 0.387 . . . . 1.22 110.259 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -36.54 72.46 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.656 -0.868 . . . . 2.65 108.656 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.516 HG13 ' HG3' ' A' ' 35' ' ' ARG . 54.5 t -75.32 -40.86 43.23 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-O 121.519 0.676 . . . . 0.92 109.971 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 20' ' ' VAL . 40.3 t -68.04 -42.05 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.934 -1.03 . . . . 0.94 113.393 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -113.14 -1.71 14.31 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 115.747 1.758 . . . . 1.24 115.747 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -165.04 74.44 0.23 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.009 1.277 . . . . 4.46 112.979 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.86 -40.64 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.497 0.925 . . . . 2.66 113.497 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.546 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 1.2 m -67.78 148.93 50.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.791 -0.64 . . . . 2.08 110.18 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.546 ' HB2' ' O ' ' A' ' 28' ' ' SER . 28.5 m170 78.91 15.57 1.08 Allowed 'General case' 0 C--N 1.342 0.262 0 N-CA-C 107.993 -1.114 . . . . 1.63 107.993 -178.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 t -139.17 130.59 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.991 0 CA-C-N 114.81 -1.086 . . . . 1.05 109.454 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.459 ' HB2' ' OG1' ' A' ' 34' ' ' THR . 47.9 m -65.77 141.9 58.16 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-N 115.966 -0.561 . . . . 1.29 109.707 178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.635 ' O ' ' HG3' ' A' ' 36' ' ' GLU . . . -58.39 -40.05 81.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.695 -0.684 . . . . 1.09 111.36 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -42.56 85.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.929 0.395 . . . . 3.08 111.386 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.479 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -76.34 -39.38 54.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.141 -0.481 . . . . 0.98 111.815 179.415 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.516 ' HG3' HG13 ' A' ' 23' ' ' VAL . 33.9 ttm180 -59.26 -47.86 83.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.235 0.54 . . . . 3.63 111.704 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 32' ' ' ALA . 35.3 mt-10 -70.48 -17.57 62.97 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.814 -0.63 . . . . 1.72 111.616 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.479 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 5.4 ptpt -87.8 -26.24 22.94 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.261 0.553 . . . . 1.44 110.086 179.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.559 HG11 ' HA ' ' A' ' 20' ' ' VAL . 70.0 t -82.03 -44.35 19.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.67 -0.695 . . . . 0.68 109.475 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.11 -34.18 71.73 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 108.814 -0.81 . . . . 1.7 108.814 179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -67.08 -39.39 86.79 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.368 -1.287 . . . . 0.78 110.237 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.67 97.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.004 -0.544 . . . . 0.79 111.166 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.7 mtm -64.54 -22.06 66.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.171 -0.468 . . . . 0.87 111.84 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.7 -34.59 27.28 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.925 0.869 . . . . 0.93 109.564 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.499 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 44.2 mm-40 -68.37 -58.03 4.98 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 113.946 -1.479 . . . . 1.55 111.17 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.0 -12.55 59.36 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 114.257 -1.338 . . . . 1.79 112.672 -177.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.482 ' O ' HD12 ' A' ' 48' ' ' ILE . 9.2 m120 62.08 57.6 2.02 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.132 0.491 . . . . 2.2 109.938 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.56 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 8.1 t80 -73.45 126.76 30.94 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.565 -0.743 . . . . 1.38 111.491 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 46' ' ' ASN . 2.7 mp -116.52 109.82 43.38 Favored Pre-proline 0 N--CA 1.446 -0.672 0 N-CA-C 108.703 -0.851 . . . . 1.39 108.703 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -53.89 123.38 13.31 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 123.067 2.512 . . . . 0.78 112.563 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.461 ' HB2' H5'' ' D' ' 13' ' ' ' DC' . 27.0 m-80 -73.98 103.85 4.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.488 0.661 . . . . 0.69 112.32 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.66 -18.75 65.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.636 -0.711 . . . . 4.2 111.127 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.64 -45.36 30.2 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.497 -0.557 . . . . 0.7 109.497 178.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.622 ' HB3' " H5'" ' D' ' 13' ' ' ' DC' . . . -70.66 -35.74 73.01 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.248 -0.649 . . . . 0.53 109.248 178.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -58.18 -51.94 67.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.919 -1.037 . . . . 1.67 110.505 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -64.29 -32.31 73.86 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 120.616 -0.434 . . . . 2.66 110.674 179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.665 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 7.2 tp -67.24 -49.09 65.76 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.178 -0.464 . . . . 0.61 110.914 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.71 -17.64 16.38 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.455 0.909 . . . . 0.85 113.455 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.12 89.31 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.453 -0.88 . . . . 1.86 112.497 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 55' ' ' GLN . 10.9 mttp -64.11 153.3 38.03 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 123.084 0.554 . . . . 6.17 110.805 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.471 ' O ' ' HB2' ' A' ' 61' ' ' SER . 11.2 mm100 -84.97 87.0 7.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.259 -0.428 . . . . 6.76 110.382 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.471 ' HB2' ' O ' ' A' ' 60' ' ' GLN . 68.0 m 75.2 -53.58 0.66 Allowed 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.007 0.817 . . . . 7.52 112.133 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' O ' HD23 ' A' ' 62' ' ' LEU . 5.7 tt . . . . . 0 C--O 1.247 0.924 0 N-CA-C 108.734 -0.839 . . . . 9.27 108.734 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ttt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 110.136 -0.32 . . . . 6.54 110.136 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -101.73 116.91 62.77 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.406 -0.59 . . . . 5.5 109.406 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.46 133.78 60.05 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.529 2.152 . . . . 1.75 111.895 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.618 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 58.2 t -74.28 160.49 5.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.12 0.486 . . . . 0.83 109.928 -179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.616 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 5.5 p -131.7 155.85 46.93 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 116.228 -0.442 . . . . 0.68 111.04 -177.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.79 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.7 OUTLIER -51.63 -29.35 17.35 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 111.892 0.33 . . . . 0.66 111.892 177.045 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.584 ' HE1' " H2'" ' C' ' 12' ' ' ' DG' . 31.6 m-85 -69.36 -36.8 77.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.834 -1.076 . . . . 1.22 111.105 -178.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -65.83 -39.32 90.72 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.393 0.616 . . . . 1.45 109.422 178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.553 ' HA ' HD23 ' B' ' 45' ' ' LEU . 25.3 t -65.18 -46.19 91.67 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 CA-C-N 115.013 -0.994 . . . . 0.55 110.891 -179.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.529 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -54.85 -53.82 50.41 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.036 -0.984 . . . . 0.63 111.026 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -58.61 -49.33 77.87 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.357 -1.292 . . . . 2.46 111.777 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.526 ' CB ' HD21 ' B' ' 45' ' ' LEU . 40.9 t80 -60.8 -50.3 74.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 1.39 111.738 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.731 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -68.31 -21.09 64.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.805 0.668 . . . . 0.69 112.805 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.44 42.1 19.05 Favored Glycine 0 N--CA 1.443 -0.886 0 N-CA-C 111.222 -0.751 . . . . 1.09 111.222 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.6 m -129.72 171.88 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 N-CA-C 108.658 -0.868 . . . . 0.62 108.658 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 46.7 p -72.89 159.26 34.0 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 107.759 -1.2 . . . . 1.31 107.759 177.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.499 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -70.09 -15.17 62.95 Favored 'General case' 0 C--N 1.311 -1.072 0 C-N-CA 120.895 -0.322 . . . . 1.58 110.391 -179.121 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -82.62 -35.55 26.91 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 107.757 -1.201 . . . . 0.89 107.757 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.461 ' O ' HG23 ' B' ' 23' ' ' VAL . 70.1 m -52.87 -36.01 58.45 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 113.95 -1.477 . . . . 0.64 109.392 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.529 HG21 ' HB2' ' B' ' 10' ' ' ALA . 1.8 t -66.76 -52.25 47.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 115.468 -0.787 . . . . 1.17 109.428 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 60.3 m -53.85 -49.0 69.43 Favored 'General case' 0 C--N 1.34 0.164 0 N-CA-C 107.91 -1.144 . . . . 1.13 107.91 176.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -52.4 -38.54 59.22 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 113.663 -1.608 . . . . 2.87 113.236 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 19' ' ' THR . 65.9 t -78.55 -46.96 24.48 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.247 0 CA-C-N 117.985 0.357 . . . . 0.86 110.628 179.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 20' ' ' VAL . 72.2 t -56.78 -40.68 72.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 O-C-N 123.716 0.635 . . . . 1.03 110.878 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.467 HD21 ' P ' ' C' ' 14' ' ' ' DT' . 31.6 m-80 -86.67 -5.34 59.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.788 -0.642 . . . . 1.25 111.723 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 56.73 40.77 28.98 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.493 -0.558 . . . . 3.75 109.493 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.92 170.56 15.71 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 114.908 -1.042 . . . . 2.36 112.26 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.98 173.14 11.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.267 -0.879 . . . . 1.96 112.73 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 55.0 m170 63.86 50.3 2.64 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.134 -0.939 . . . . 1.34 109.977 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 59.7 t -139.49 129.48 30.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.245 -0.889 . . . . 1.1 110.293 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.502 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 32.6 m -74.45 152.6 39.43 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.99 -0.55 . . . . 0.98 109.739 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.08 -49.19 74.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.96 -0.564 . . . . 1.12 111.425 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt -57.5 -55.62 32.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.027 -0.533 . . . . 3.25 112.147 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.502 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.0 OUTLIER -52.65 -34.07 49.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.224 -0.444 . . . . 0.77 111.397 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 7.0 tpp180 -71.19 -46.18 61.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.274 -0.421 . . . . 3.59 110.313 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -65.93 -32.7 74.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.867 -0.606 . . . . 1.96 111.786 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.731 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 16.9 tppt? -63.54 -49.14 74.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.872 -0.604 . . . . 1.91 110.836 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.548 ' O ' ' HG3' ' B' ' 42' ' ' MET . 61.1 t -64.29 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.596 -0.729 . . . . 0.62 111.589 -178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 47.9 mt-10 -60.39 -39.84 88.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.915 0.388 . . . . 1.68 110.701 -179.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.54 -43.27 66.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.311 0.577 . . . . 0.77 110.749 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.75 -29.64 59.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.399 -0.818 . . . . 0.65 110.774 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.548 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 51.8 mtt -62.8 -22.07 66.35 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.571 -0.74 . . . . 0.71 110.937 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.59 -43.89 9.9 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.111 -0.495 . . . . 0.9 110.522 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.22 -55.39 35.34 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 115.555 -0.748 . . . . 1.58 111.229 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.553 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.2 OUTLIER -74.54 -14.21 60.77 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.09 -0.959 . . . . 1.14 111.431 -179.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.48 43.65 5.81 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 107.973 -1.121 . . . . 1.24 107.973 -175.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.618 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.5 t80 -57.44 122.88 13.66 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 114.622 -1.172 . . . . 1.46 111.22 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 80.7 mt -138.67 98.09 8.93 Favored Pre-proline 0 N--CA 1.437 -1.106 0 N-CA-C 103.434 -2.802 . . . . 1.34 103.434 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.564 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 0.2 OUTLIER -28.97 121.66 0.05 OUTLIER 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 125.101 3.867 . . . . 0.72 116.725 -175.443 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.474 HD22 " H5'" ' C' ' 12' ' ' ' DG' . 62.6 t-20 -56.55 87.6 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 113.956 -1.475 . . . . 0.85 110.188 178.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' B' ' 55' ' ' GLN . 17.6 mmt85 -51.04 -23.77 3.29 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.729 1.011 . . . . 4.55 113.729 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 69.8 m -77.71 -57.06 4.01 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 119.992 -0.683 . . . . 0.73 111.56 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.36 -35.69 71.23 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.141 0.496 . . . . 0.64 111.193 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.564 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 6.9 mt-30 -65.87 -29.56 70.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.746 -0.661 . . . . 1.04 112.422 -178.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.466 ' HB2' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -89.39 -21.5 23.03 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.043 -0.725 . . . . 2.45 109.043 -179.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.441 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 2.6 tp -77.94 -42.36 33.28 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.085 -0.961 . . . . 0.65 108.919 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.23 3.08 3.08 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.699 0.629 . . . . 1.07 112.699 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.61 -70.37 0.21 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.155 -1.022 . . . . 1.6 113.989 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.434 ' HE2' ' HB3' ' B' ' 54' ' ' GLN . 23.0 ttmm 60.27 -87.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.307 0.643 . . . . 5.04 111.078 -178.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -136.53 26.22 3.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.775 -0.648 . . . . 6.57 109.682 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -101.66 -17.04 16.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.361 -0.381 . . . . 6.55 111.655 -179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 12.2 tp . . . . . 0 C--O 1.25 1.11 0 CA-C-O 117.813 -1.089 . . . . 8.33 109.363 -179.8 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.5 -1.521 0 C3'-C2'-C1' 98.994 -2.647 . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.519 ' C2 ' ' C6 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.09 0 C3'-C2'-C1' 99.538 -2.259 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.519 ' C6 ' ' C2 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-C2' 103.782 -2.107 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.431 ' H71' " C2'" ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.011 0 O4'-C1'-C2' 104.015 -1.896 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.589 ' C2 ' ' N7 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 99.435 -2.332 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.668 " C2'" ' H71' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.063 0 C3'-C2'-C1' 100.093 -1.862 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.668 ' H71' " C2'" ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.76 0 C3'-C2'-C1' 99.737 -2.116 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . 0.442 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.028 0 C3'-C2'-C1' 98.9 -2.714 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.442 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.785 0 C3'-C2'-C1' 99.457 -2.316 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.457 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.596 -0.94 0 C3'-C2'-C1' 98.687 -2.866 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.457 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.916 0 O4'-C1'-C2' 104.028 -1.883 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.665 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.502 -1.374 0 C3'-C2'-C1' 98.628 -2.908 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.616 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.578 -2.375 0 C3'-C2'-C1' 99.983 -1.941 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.79 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C3'-C2'-C1' 99.171 -2.521 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.467 ' P ' HD21 ' B' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 104.202 -1.725 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.054 0 C3'-C2'-C1' 100.206 -1.781 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.412 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.503 -1.285 0 O4'-C1'-C2' 104.034 -1.878 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.412 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.207 0 C3'-C2'-C1' 99.445 -2.325 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.256 0 C3'-C2'-C1' 99.747 -2.109 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.511 -0.699 0 O4'-C1'-C2' 103.875 -2.023 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.511 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.076 0 C3'-C2'-C1' 99.572 -2.234 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.511 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.947 0 C3'-C2'-C1' 99.144 -2.54 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.484 ' H71' " C2'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.159 0 C3'-C2'-C1' 99.219 -2.486 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.502 -1.357 0 C3'-C2'-C1' 100.808 -1.352 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C5'-C4'-C3' 116.987 1.525 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.529 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C5'-C4'-C3' 116.84 1.427 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.544 ' C6 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 O4'-C1'-C2' 107.054 0.868 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.544 ' H72' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.53 1.247 0 C3'-C2'-C1' 105.183 1.773 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.44 ' C8 ' ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.811 0 C4'-C3'-C2' 104.254 1.054 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.44 ' H72' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 N19-C1'-C2' 112.851 -0.843 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.441 H2'' " O5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C5'-C4'-C3' 116.342 1.094 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.541 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 P--O3' 1.616 0.778 0 C3'-C2'-C1' 104.447 1.248 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.541 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C3'-C2'-C1' 104.014 0.939 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.679 H2'' ' C5 ' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C3'-C2'-C1' 105.149 1.749 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.679 ' C5 ' H2'' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.956 0 C5'-C4'-O4' 106.677 -1.702 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.557 ' C5 ' ' C4 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 C3'-C2'-C1' 100.92 -1.271 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.622 " H5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 C3'-C2'-C1' 105.486 1.99 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.632 H2'' ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 104.43 1.236 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.632 ' C6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.93 0 C3'-C2'-C1' 105.418 1.941 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.541 ' N6 ' ' NE2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 102.496 -0.704 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.496 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.83 0 C5'-C4'-O4' 108.276 -0.703 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.582 ' C2 ' ' C4 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 N19-C1'-C2' 112.804 -0.872 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.582 ' C4 ' ' C2 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.971 0 O4'-C1'-C2' 105.435 -0.604 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.488 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 C1'-O4'-C4' 110.516 0.583 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.401 " H5'" " H1'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.407 -0.971 0 C4'-C3'-C2' 104.68 1.48 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 107.291 1.083 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ttt . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.828 0.347 . . . . 6.94 110.421 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 3' ' ' PRO . 8.3 tmtt? -101.32 114.68 65.7 Favored Pre-proline 0 N--CA 1.443 -0.787 0 N-CA-C 109.093 -0.706 . . . . 5.85 109.093 179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.409 ' O ' ' HD3' ' A' ' 2' ' ' LYS . 21.3 Cg_endo -60.03 152.23 66.55 Favored 'Trans proline' 0 N--CA 1.459 -0.53 0 C-N-CA 122.154 1.903 . . . . 1.9 111.336 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.554 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 18.0 t -101.58 171.72 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.11 0 N-CA-C 107.629 -1.249 . . . . 0.99 107.629 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.552 ' O ' HG23 ' A' ' 9' ' ' VAL . 7.1 p -134.18 162.13 32.99 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 109.158 -0.682 . . . . 0.72 109.158 -178.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.515 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.6 pt? -63.74 -16.47 61.23 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 109.47 -0.567 . . . . 0.66 109.47 177.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -79.31 -39.33 33.12 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.077 -0.51 . . . . 0.68 110.086 178.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.65 -37.55 84.45 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 107.998 -1.112 . . . . 1.86 107.998 179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 5' ' ' THR . 29.6 t -67.02 -49.04 77.36 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.177 0 CA-C-N 112.753 -2.021 . . . . 0.66 109.437 178.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.456 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -59.52 -42.66 92.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.388 -0.824 . . . . 0.65 110.781 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -64.53 -50.42 67.39 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.523 -0.762 . . . . 2.41 111.167 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.609 ' CE2' ' HG3' ' A' ' 44' ' ' GLU . 57.8 t80 -67.67 -24.02 65.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.89 0.376 . . . . 1.68 111.509 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.467 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -90.72 -18.88 24.25 Favored 'General case' 0 N--CA 1.434 -1.232 0 C-N-CA 120.615 -0.434 . . . . 0.71 110.35 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.38 38.82 27.95 Favored Glycine 0 N--CA 1.439 -1.101 0 N-CA-C 110.344 -1.102 . . . . 0.68 110.344 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.467 HG22 ' HB3' ' A' ' 13' ' ' ALA . 35.3 m -135.43 -175.06 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 CA-C-N 115.022 -0.589 . . . . 0.62 109.752 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.2 m -93.82 151.49 19.56 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 108.468 -0.938 . . . . 1.03 108.468 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.515 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 22.3 p90 -53.33 -39.75 64.32 Favored 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 121.16 0.505 . . . . 1.38 110.744 179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.616 ' HG2' ' N4 ' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -62.0 -28.54 69.64 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.484 -0.78 . . . . 2.08 111.091 177.516 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.3 m -69.59 -43.43 72.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.707 0.765 . . . . 0.61 109.112 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.651 ' HA ' HG11 ' A' ' 38' ' ' VAL . 78.0 t -59.76 -53.44 48.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 114.79 -1.095 . . . . 0.65 111.161 177.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 t -64.89 -23.94 67.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.163 -0.471 . . . . 1.22 110.703 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.545 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 11.5 ttp180 -72.83 -30.29 63.91 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.927 -0.768 . . . . 2.65 108.927 178.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.45 HG13 ' HG2' ' A' ' 35' ' ' ARG . 43.4 t -80.72 -42.45 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 CA-C-N 115.305 -0.861 . . . . 0.92 110.364 179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 20' ' ' VAL . 23.5 t -67.05 -52.16 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-N 115.418 -0.81 . . . . 0.94 112.623 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.477 HD21 ' P ' ' D' ' 14' ' ' ' DT' . 60.8 m-20 -75.75 -37.5 59.27 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 113.291 0.849 . . . . 1.24 113.291 -178.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 54.4 mm-40 -131.68 -114.15 0.23 Allowed 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 120.531 -0.468 . . . . 4.46 111.663 -174.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 158.25 -32.92 0.0 OUTLIER 'General case' 0 C--N 1.346 0.441 0 O-C-N 124.379 1.049 . . . . 2.66 110.866 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.87 151.59 46.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.971 -0.559 . . . . 2.08 109.536 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 43.6 m170 69.13 21.89 7.06 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 109.33 -0.619 . . . . 1.63 109.33 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.482 HG22 ' HE ' ' A' ' 22' ' ' ARG . 34.0 t -137.6 130.81 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.248 -0.887 . . . . 1.05 109.408 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -81.11 152.61 27.73 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.425 0.631 . . . . 1.29 110.088 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.43 -39.13 69.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.627 -0.715 . . . . 1.09 110.819 179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -51.75 -46.54 64.11 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 115.561 -0.745 . . . . 3.08 111.388 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -81.25 -39.61 25.04 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.135 0.493 . . . . 0.98 111.807 -179.134 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.45 ' HG2' HG13 ' A' ' 23' ' ' VAL . 5.5 ttp180 -53.64 -57.4 10.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.2 0.524 . . . . 3.63 111.706 -178.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -67.52 -19.01 65.25 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 115.5 -0.773 . . . . 1.72 111.958 -178.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -87.01 -28.45 22.63 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.61 -0.436 . . . . 1.44 109.937 -179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.651 HG11 ' HA ' ' A' ' 20' ' ' VAL . 70.6 t -78.21 -43.2 27.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.66 -0.496 . . . . 0.68 109.66 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -60.73 -35.48 76.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.526 -0.761 . . . . 1.7 109.205 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -68.04 -37.42 81.32 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 115.237 -0.892 . . . . 0.78 110.826 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.32 87.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.862 -0.608 . . . . 0.79 110.796 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 18.7 mtt -66.06 -27.16 67.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.367 -0.833 . . . . 0.87 112.29 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.46 -32.64 42.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.971 0.891 . . . . 0.93 109.259 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.609 ' HG3' ' CE2' ' A' ' 12' ' ' TYR . 38.0 mm-40 -69.42 -59.64 2.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.119 -1.4 . . . . 1.55 112.058 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.15 -8.81 59.66 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 114.016 -1.447 . . . . 1.79 112.736 -177.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.519 ' O ' HD13 ' A' ' 48' ' ' ILE . 83.6 m-20 61.31 56.95 2.52 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.238 0.542 . . . . 2.2 110.082 -178.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.554 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 13.8 t80 -72.38 123.61 23.4 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 116.05 -0.523 . . . . 1.38 110.618 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -112.63 116.2 48.31 Favored Pre-proline 0 N--CA 1.434 -1.268 0 N-CA-C 109.321 -0.622 . . . . 1.39 109.321 178.286 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.442 ' O ' ' HD2' ' A' ' 51' ' ' ARG . 47.4 Cg_exo -57.02 116.77 3.44 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.364 2.709 . . . . 0.78 112.7 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -76.54 95.93 4.0 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.012 0.434 . . . . 0.69 110.585 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' A' ' 49' ' ' PRO . 5.2 mpt_? -58.23 -25.86 62.19 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.404 -0.816 . . . . 4.2 111.216 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -43.02 85.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.898 0.856 . . . . 0.7 109.603 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.636 ' HB3' " C5'" ' D' ' 13' ' ' ' DC' . . . -71.81 -37.85 70.3 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.781 -1.099 . . . . 0.53 109.308 177.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.489 ' OE1' ' HE3' ' A' ' 59' ' ' LYS . 9.0 tt0 -59.89 -40.15 87.75 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 124.027 0.829 . . . . 1.67 109.705 177.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -68.25 -39.52 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.297 -0.865 . . . . 2.66 109.394 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.77 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 10.0 tp -58.88 -51.81 68.42 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.231 0.539 . . . . 0.61 111.205 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.99 -13.38 61.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.363 -0.835 . . . . 0.85 112.123 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.76 117.12 3.18 Favored Glycine 0 N--CA 1.442 -0.939 0 C-N-CA 120.908 -0.663 . . . . 1.86 111.544 -178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -78.43 104.91 9.34 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 120.104 -0.638 . . . . 6.17 111.06 -179.011 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.463 HE21 " C3'" ' D' ' 14' ' ' ' DT' . 0.0 OUTLIER -84.8 179.54 7.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.853 -0.612 . . . . 6.76 109.56 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.7 m 63.29 52.19 2.49 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 123.772 0.67 . . . . 7.52 110.811 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 24.6 tp . . . . . 0 C--O 1.252 1.188 0 CA-C-N 116.136 -0.484 . . . . 9.27 110.227 179.225 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 63.2 ttp . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 120.947 0.403 . . . . 6.54 110.357 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -142.92 112.89 5.79 Favored Pre-proline 0 C--O 1.238 0.461 0 CA-C-O 121.164 0.506 . . . . 5.5 110.773 -178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -70.76 129.4 16.48 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.898 2.399 . . . . 1.75 110.887 179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.69 HG21 ' O ' ' B' ' 45' ' ' LEU . 20.9 t -68.61 167.77 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 N-CA-C 108.632 -0.877 . . . . 0.83 108.632 179.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.671 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 24.3 p -130.84 155.96 45.84 Favored 'General case' 0 N--CA 1.432 -1.336 0 O-C-N 121.832 -0.542 . . . . 0.68 110.645 -176.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.833 HD23 ' CE1' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -52.2 -28.96 20.3 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 123.554 0.534 . . . . 0.66 111.324 177.285 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.546 ' HE2' " H2'" ' C' ' 12' ' ' ' DG' . 43.4 m-85 -69.01 -37.77 78.88 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.504 -0.316 . . . . 1.22 110.889 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.19 -37.15 86.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.595 -0.52 . . . . 1.45 109.595 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.712 ' HA ' HD23 ' B' ' 45' ' ' LEU . 28.2 t -69.24 -46.37 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.707 -0.679 . . . . 0.55 109.591 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.577 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -54.28 -57.37 11.48 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 114.89 -1.05 . . . . 0.63 111.572 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -47.71 79.09 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.933 -1.03 . . . . 2.46 112.337 -178.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.631 ' CB ' HD21 ' B' ' 45' ' ' LEU . 27.7 t80 -64.02 -50.48 68.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.514 -0.767 . . . . 1.39 112.489 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.413 ' HB1' ' HG3' ' B' ' 37' ' ' LYS . . . -65.76 -25.08 67.11 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.296 -0.411 . . . . 0.69 111.979 -178.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.48 43.69 10.15 Favored Glycine 0 N--CA 1.438 -1.19 0 C-N-CA 120.085 -1.055 . . . . 1.09 111.614 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.71 165.31 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 N-CA-C 107.912 -1.144 . . . . 0.62 107.912 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.469 ' OG ' " H2'" ' D' ' 5' ' ' ' DG' . 5.2 m -70.1 159.23 34.27 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.918 -1.142 . . . . 1.31 107.918 176.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.833 ' CE1' HD23 ' B' ' 6' ' ' LEU . 37.9 t80 -58.62 -50.17 74.81 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-O 120.808 0.337 . . . . 1.58 111.325 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -50.65 -38.33 45.7 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.758 0.423 . . . . 0.89 110.745 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.607 ' O ' HG23 ' B' ' 23' ' ' VAL . 20.7 m -54.73 -41.63 70.62 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.401 1.063 . . . . 0.64 111.657 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.577 HG21 ' HB2' ' B' ' 10' ' ' ALA . 22.0 t -66.19 -52.05 52.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 115.089 -0.959 . . . . 1.17 110.171 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.472 ' OG ' ' H71' ' C' ' 14' ' ' ' DT' . 52.8 m -54.15 -47.44 71.95 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 107.698 -1.223 . . . . 1.13 107.698 176.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.461 ' HD2' HG22 ' B' ' 30' ' ' VAL . 8.0 ttm180 -51.96 -37.89 54.58 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.411 -1.268 . . . . 2.87 112.094 178.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.607 HG23 ' O ' ' B' ' 19' ' ' THR . 87.2 t -76.7 -40.84 33.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.114 0.483 . . . . 0.86 110.832 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 t -63.68 -31.02 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.32 -0.855 . . . . 1.03 110.705 -178.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.526 HD21 ' P ' ' C' ' 14' ' ' ' DT' . 13.9 m-80 -92.07 -1.08 57.4 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.426 -0.806 . . . . 1.25 109.885 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 51.05 42.05 28.1 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 123.874 0.734 . . . . 3.75 109.803 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.27 -178.43 6.6 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.243 -0.89 . . . . 2.36 111.225 -178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -91.17 178.04 6.09 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.485 -0.78 . . . . 1.96 112.191 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.445 ' HA ' ' OP2' ' D' ' 3' ' ' ' DT' . 94.3 m-70 62.67 45.87 5.71 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 114.566 -1.197 . . . . 1.34 110.594 -178.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.461 HG22 ' HD2' ' B' ' 22' ' ' ARG . 21.3 t -135.86 116.24 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.867 -0.606 . . . . 1.1 110.416 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.681 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 32.3 m -61.53 156.51 19.4 Favored 'General case' 0 N--CA 1.447 -0.584 0 O-C-N 123.763 0.665 . . . . 0.98 110.172 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.58 68.76 Favored 'General case' 0 C--N 1.344 0.345 0 O-C-N 122.418 -0.176 . . . . 1.12 111.311 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -55.7 -52.07 65.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 3.25 111.288 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.681 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -55.5 -39.04 69.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.805 -0.634 . . . . 0.77 111.382 179.179 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -70.58 -46.48 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.068 0.461 . . . . 3.59 110.627 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -67.93 -26.39 65.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.959 -0.564 . . . . 1.96 111.474 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.413 ' HG3' ' HB1' ' B' ' 13' ' ' ALA . 0.5 OUTLIER -68.26 -47.64 67.18 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.02 -0.536 . . . . 1.91 110.18 -179.836 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.526 ' O ' ' HG3' ' B' ' 42' ' ' MET . 94.7 t -66.38 -38.79 82.56 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.061 0 CA-C-N 115.248 -0.887 . . . . 0.62 111.0 -179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -65.71 -34.89 79.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.034 -0.53 . . . . 1.68 109.576 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.74 -44.1 64.68 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.583 0.706 . . . . 0.77 110.593 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' B' ' 45' ' ' LEU . . . -56.62 -29.52 62.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.06 -0.973 . . . . 0.65 110.985 178.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.526 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 44.6 mtt -64.12 -20.62 66.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.003 -0.544 . . . . 0.71 109.861 179.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.7 -52.84 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.397 -0.365 . . . . 0.9 110.857 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -36.89 79.35 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 122.249 1.023 . . . . 1.58 110.25 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.712 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.0 OUTLIER -82.0 -17.9 45.25 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.567 -1.197 . . . . 1.14 112.255 178.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.54 43.44 5.85 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.969 -1.123 . . . . 1.24 107.969 -175.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.624 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 4.1 t80 -54.85 125.23 19.32 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 114.474 -1.239 . . . . 1.46 110.362 -179.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 20.4 mm -140.64 98.85 7.03 Favored Pre-proline 0 N--CA 1.444 -0.751 0 N-CA-C 102.542 -3.133 . . . . 1.34 102.542 177.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.603 ' HB2' ' HB2' ' B' ' 62' ' ' LEU . 43.0 Cg_exo -34.51 131.33 0.18 Allowed 'Trans proline' 0 N--CA 1.479 0.655 0 C-N-CA 124.203 3.268 . . . . 0.72 115.495 -175.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -59.97 88.34 0.01 OUTLIER 'General case' 0 C--N 1.343 0.284 0 CA-C-N 114.585 -1.189 . . . . 0.85 110.338 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.494 ' HD2' ' NE2' ' B' ' 60' ' ' GLN . 21.3 tpt180 -47.69 -33.43 6.89 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.738 0.644 . . . . 4.55 112.738 -178.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.55 -60.95 1.96 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.614 -0.721 . . . . 0.73 111.901 -178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.87 -34.04 75.91 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.825 -0.625 . . . . 0.64 111.828 -179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -65.55 -31.86 73.14 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 112.61 0.596 . . . . 1.04 112.61 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.493 ' HG3' ' NE2' ' B' ' 60' ' ' GLN . 43.2 mt-30 -81.52 -24.54 36.57 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 108.658 -0.867 . . . . 2.45 108.658 178.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.681 HD21 ' N3 ' ' D' ' 12' ' ' ' DG' . 1.5 tp -71.63 -48.46 47.75 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.075 -0.966 . . . . 0.65 111.084 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.7 -67.35 0.34 Allowed 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 120.253 -0.579 . . . . 1.07 110.002 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 178.2 -48.86 0.1 OUTLIER Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 118.192 -1.956 . . . . 1.6 112.046 174.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.31 144.82 32.45 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.606 0.717 . . . . 5.04 112.099 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.494 ' NE2' ' HD2' ' B' ' 51' ' ' ARG . 7.2 tp-100 -104.85 135.97 45.23 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.594 -0.73 . . . . 6.57 110.459 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.9 -25.78 12.46 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.151 -0.685 . . . . 6.55 109.151 178.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.603 ' HB2' ' HB2' ' B' ' 49' ' ' PRO . 0.4 OUTLIER . . . . . 0 C--O 1.245 0.853 0 CA-C-N 114.991 -1.004 . . . . 8.33 109.441 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . 0.458 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.289 0 C3'-C2'-C1' 99.3 -2.429 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.458 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.505 -1.12 0 C3'-C2'-C1' 99.737 -2.116 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.436 " H1'" " H5'" ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.453 0.609 0 O4'-C1'-C2' 103.368 -2.484 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.436 " H5'" " H1'" ' C' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.421 -1.169 0 C3'-C2'-C1' 99.905 -1.997 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.539 ' C2 ' ' C5 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 P--O3' 1.596 -0.91 0 C3'-C2'-C1' 99.466 -2.31 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.539 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.178 0 C3'-C2'-C1' 100.205 -1.782 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.44 ' O4 ' ' HG3' ' A' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.511 -0.718 0 C3'-C2'-C1' 99.595 -2.218 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.781 0 C3'-C2'-C1' 99.059 -2.601 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.146 0 O4'-C1'-C2' 103.833 -2.061 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C3'-C2'-C1' 98.66 -2.886 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.759 0 C5'-C4'-C3' 117.804 2.069 . . . . 0.72 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.77 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.499 -1.546 0 C3'-C2'-C1' 98.801 -2.785 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.671 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 P--O3' 1.582 -2.075 0 O4'-C1'-C2' 104.127 -1.794 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.545 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 P--O3' 1.597 -0.843 0 C3'-C2'-C1' 99.949 -1.965 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.526 ' P ' HD21 ' B' ' 25' ' ' ASN . . . . . . . . 0 P--O3' 1.594 -1.048 0 C3'-C2'-C1' 100.17 -1.807 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.887 0 O4'-C1'-C2' 104.069 -1.846 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.5 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.865 0 C3'-C2'-C1' 99.598 -2.216 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.5 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.167 0 C5'-C4'-C3' 117.516 1.877 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.467 ' C2 ' ' C2 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.905 0 C3'-C2'-C1' 99.515 -2.275 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.797 0 O4'-C1'-C2' 103.832 -2.062 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C3'-C2'-C1' 99.925 -1.982 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.423 H2'' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 C3'-C2'-C1' 99.762 -2.098 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.423 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C3'-C2'-C1' 99.697 -2.145 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.938 0 C3'-C2'-C1' 100.83 -1.335 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.662 0 O4'-C1'-C2' 107.174 0.977 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.479 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 107.768 1.516 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.479 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.662 0 C5'-C4'-C3' 116.275 1.05 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.55 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.527 0.911 0 C3'-C2'-C1' 105.092 1.708 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.579 ' C8 ' ' H72' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.893 0 C5'-C4'-C3' 116.996 1.53 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.579 ' H72' ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 O4'-C1'-C2' 107.157 0.961 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.538 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.823 0 O4'-C1'-C2' 107.54 1.309 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.538 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.054 0 C5'-C4'-C3' 115.976 0.851 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.496 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.513 -0.56 0 C5'-C4'-O4' 108.406 -0.621 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.483 ' C6 ' H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.44 0.688 0 C5'-C4'-O4' 107.283 -1.323 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.622 1.289 0 O4'-C1'-C2' 108.151 1.864 . . . . 1.5 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.681 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C3'-C2'-C1' 99.654 -2.175 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.636 " C5'" ' HB3' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.077 0 C5'-C4'-C3' 116.303 1.069 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.477 ' P ' HD21 ' A' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 O4'-C4'-C3' 106.682 1.082 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.616 ' N4 ' ' HG2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C3'-C2'-C1' 104.974 1.624 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.493 " H5'" " H1'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C1'-O4'-C4' 110.729 0.735 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.444 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 1.009 0 C3'-C2'-C1' 103.853 0.824 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.435 " H1'" " H5'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 C3'-C2'-C1' 104.392 1.208 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.435 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.847 0 O3'-P-O5' 102.458 -0.812 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.409 " H5'" " H1'" ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.42 -1.266 0 O4'-C1'-C2' 107.113 0.921 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.527 0.905 0 C3'-C2'-C1' 104.827 1.52 . . . . 1.8 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.53 0.673 0 O4'-C1'-C2' 107.158 0.962 . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.267 -0.271 . . . . 6.94 110.267 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -87.97 115.43 63.06 Favored Pre-proline 0 N--CA 1.451 -0.413 0 CA-C-N 116.066 -0.516 . . . . 5.85 110.671 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.42 -172.17 1.42 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.132 1.888 . . . . 1.9 111.961 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.512 ' HB ' ' HA ' ' A' ' 47' ' ' TYR . 67.4 t -129.94 131.55 66.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 N-CA-C 107.248 -1.39 . . . . 0.99 107.248 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.614 HG21 ' OP1' ' D' ' 12' ' ' ' DG' . 4.0 p -83.49 161.76 21.15 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 112.262 0.467 . . . . 0.72 112.262 -178.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.559 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 1.4 pt? -65.41 -15.93 63.1 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.65 -0.705 . . . . 0.66 109.538 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -75.33 -42.56 54.1 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.705 -0.68 . . . . 0.68 109.443 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.12 -39.63 86.9 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 122.878 1.323 . . . . 1.86 107.538 179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 5' ' ' THR . 32.5 t -65.22 -46.19 91.53 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 CA-C-N 112.462 -2.154 . . . . 0.66 109.538 178.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.6 96.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.715 -1.13 . . . . 0.65 111.647 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -63.26 -50.96 68.09 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.329 0.585 . . . . 2.41 111.086 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CD2' HD21 ' A' ' 45' ' ' LEU . 25.8 t80 -65.96 -25.78 67.27 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.423 0.527 . . . . 1.68 112.423 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.589 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -85.93 -25.84 25.88 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 109.016 -0.735 . . . . 0.71 109.016 -178.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.57 41.24 7.4 Favored Glycine 0 CA--C 1.501 -0.793 0 N-CA-C 109.975 -1.25 . . . . 0.68 109.975 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.589 HG22 ' HB3' ' A' ' 13' ' ' ALA . 33.9 m -141.31 -167.01 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 114.482 -0.859 . . . . 0.62 110.334 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.6 m -106.9 151.84 24.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.948 -0.569 . . . . 1.03 109.874 177.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.559 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 42.4 p90 -49.72 -44.39 48.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.86 -0.609 . . . . 1.38 111.022 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HG2' ' H41' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -63.81 -28.27 69.75 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 111.933 0.346 . . . . 2.08 111.933 176.639 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -68.12 -42.75 79.76 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 107.842 -1.17 . . . . 0.61 107.842 178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.597 ' HA ' HG11 ' A' ' 38' ' ' VAL . 87.9 t -58.86 -50.95 77.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 114.952 -1.022 . . . . 0.65 111.708 177.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.5 t -64.71 -25.2 67.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.32 0.581 . . . . 1.22 110.563 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.482 ' O ' ' HB2' ' A' ' 26' ' ' GLN . 5.7 ttp180 -69.77 -29.62 67.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.703 -0.68 . . . . 2.65 109.326 178.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.2 t -86.0 -48.82 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 121.136 0.494 . . . . 0.92 110.844 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.1 t -56.01 -47.06 80.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.616 -0.72 . . . . 0.94 112.762 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.521 ' C ' ' HG2' ' A' ' 26' ' ' GLN . 76.9 m-20 -97.01 -10.53 26.02 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 114.019 1.118 . . . . 1.24 114.019 -178.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.521 ' HG2' ' C ' ' A' ' 25' ' ' ASN . 2.2 mm-40 -142.68 -117.55 0.1 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 118.862 0.755 . . . . 4.46 110.659 -177.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 26' ' ' GLN . . . 163.27 -37.65 0.0 OUTLIER 'General case' 0 C--O 1.234 0.255 0 O-C-N 124.464 1.103 . . . . 2.66 110.565 -177.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 7.1 m -74.5 157.4 35.6 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.01 -0.995 . . . . 2.08 110.702 -178.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.441 ' O ' ' H71' ' C' ' 4' ' ' ' DT' . 57.5 m170 71.08 16.64 6.33 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.856 0.836 . . . . 1.63 109.67 -178.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 t -132.8 126.26 53.89 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.873 0 CA-C-N 114.913 -1.04 . . . . 1.05 108.325 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 p -61.78 152.25 31.92 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.754 -0.832 . . . . 1.29 108.754 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.88 -6.18 25.64 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.92 -0.582 . . . . 1.09 111.633 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HE2' ' HB3' ' A' ' 33' ' ' LYS . 11.6 ttpt -90.85 -45.25 8.9 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 108.216 -1.031 . . . . 3.08 108.216 -177.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.546 ' HA ' ' HG2' ' A' ' 37' ' ' LYS . 1.9 p -77.29 -24.61 50.95 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 115.676 -0.693 . . . . 0.98 112.416 -178.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -58.54 -54.86 42.27 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 120.086 -0.646 . . . . 3.63 110.585 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.68 -26.16 68.54 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 113.554 0.946 . . . . 1.72 113.554 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.546 ' HG2' ' HA ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -85.96 -24.81 26.37 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 119.945 -0.702 . . . . 1.44 110.563 -178.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' ' 20' ' ' VAL . 58.6 t -75.79 -38.59 37.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 107.038 -1.467 . . . . 0.68 107.038 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -71.81 -2.71 18.67 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 113.922 -1.49 . . . . 1.7 108.485 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -96.57 -45.11 6.86 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.001 -1.481 . . . . 0.78 107.001 -177.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.39 84.07 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 113.565 -1.652 . . . . 0.79 112.031 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.8 mtt -58.18 -30.9 66.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.372 -0.376 . . . . 0.87 111.787 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.88 -37.87 23.71 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.383 0.611 . . . . 0.93 109.747 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 32.3 mm-40 -62.07 -56.92 14.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.668 -1.151 . . . . 1.55 112.079 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.534 HD21 ' CD2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER -88.11 -11.64 46.41 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.888 -1.505 . . . . 1.79 111.841 -177.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 66.81 69.26 0.41 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.158 -0.682 . . . . 2.2 109.158 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.512 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 16.9 t80 -82.54 125.17 30.83 Favored 'General case' 0 CA--C 1.52 -0.208 0 C-N-CA 123.592 0.757 . . . . 1.38 112.112 -178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 118.9 22.85 Favored Pre-proline 0 N--CA 1.454 -0.271 0 N-CA-C 108.737 -0.838 . . . . 1.39 108.737 176.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.3 129.12 32.46 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 122.385 2.056 . . . . 0.78 112.592 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -77.14 113.14 14.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.69 110.954 179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 51' ' ' ARG . 29.4 mmt180 -63.32 -35.94 82.03 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.732 -0.667 . . . . 4.2 112.327 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -66.57 -44.6 81.85 Favored 'General case' 0 C--O 1.222 -0.379 0 O-C-N 122.278 -0.264 . . . . 0.7 110.47 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.532 ' CB ' " H5'" ' D' ' 13' ' ' ' DC' . . . -57.73 -49.24 77.22 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.482 -0.562 . . . . 0.53 109.482 177.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.401 ' OE1' ' HD3' ' A' ' 51' ' ' ARG . 96.5 mt-30 -55.43 -41.79 73.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.046 -0.979 . . . . 1.67 110.336 177.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.547 ' HA ' ' O ' ' A' ' 59' ' ' LYS . 96.6 mt-30 -74.09 -21.01 60.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.492 -0.776 . . . . 2.66 112.363 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.685 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 10.4 tp -87.91 -46.32 9.5 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 109.211 -0.662 . . . . 0.61 109.211 -179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.62 -59.18 4.93 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 114.549 -1.205 . . . . 0.85 110.525 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -126.87 -81.0 0.35 Allowed Glycine 0 CA--C 1.505 -0.575 0 C-N-CA 117.154 -2.45 . . . . 1.86 115.3 178.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.547 ' O ' ' HA ' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -73.38 102.5 3.76 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 111.967 0.358 . . . . 6.17 111.967 -176.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 55' ' ' GLN . 3.7 tt0 -81.26 138.29 35.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.955 -0.566 . . . . 6.76 111.59 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 m 64.23 20.42 12.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.187 -0.915 . . . . 7.52 112.046 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.42 ' C ' HE21 ' A' ' 55' ' ' GLN . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.67 -0.681 . . . . 9.27 109.869 178.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 mmt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.804 0.335 . . . . 6.54 110.707 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.54 82.92 50.26 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.602 -0.726 . . . . 5.5 110.397 179.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.17 149.69 58.38 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.267 2.645 . . . . 1.75 112.406 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.638 ' HB ' ' HA ' ' B' ' 47' ' ' TYR . 69.3 t -138.28 161.72 31.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 C-N-CA 120.813 -0.355 . . . . 0.83 110.831 -178.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.688 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 43.1 p -132.36 159.35 39.46 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 119.2 -0.429 . . . . 0.68 110.93 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.756 ' HB2' ' OP1' ' C' ' 13' ' ' ' DA' . 0.4 OUTLIER -52.87 -27.15 17.18 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 123.48 0.487 . . . . 0.66 112.036 177.107 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.658 ' CE1' " H2'" ' C' ' 12' ' ' ' DG' . 11.6 m-85 -71.34 -29.39 64.93 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.5 0.666 . . . . 1.22 111.374 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -76.93 -35.07 57.57 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.63 -0.714 . . . . 1.45 109.529 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.623 ' HA ' HD23 ' B' ' 45' ' ' LEU . 57.9 t -68.51 -43.58 83.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 115.21 -0.905 . . . . 0.55 110.694 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.94 -50.13 74.96 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.656 -0.702 . . . . 0.63 111.022 179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -58.32 -48.28 81.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.095 -0.957 . . . . 2.46 111.293 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.585 ' CB ' HD21 ' B' ' 45' ' ' LEU . 17.9 t80 -64.38 -53.93 40.89 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 113.172 0.805 . . . . 1.39 113.172 -178.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.985 ' HB1' ' HG2' ' B' ' 37' ' ' LYS . . . -63.9 -27.45 69.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.373 0.606 . . . . 0.69 110.333 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.24 50.72 3.76 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.25 -0.74 . . . . 1.09 111.25 -178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 22.8 m -140.55 159.93 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 109.121 -0.696 . . . . 0.62 109.121 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.448 ' O ' ' HB ' ' B' ' 19' ' ' THR . 66.4 m -67.93 154.55 41.34 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.41 -0.589 . . . . 1.31 109.41 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.561 ' HD1' HD23 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -59.71 -39.09 83.48 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.959 -0.386 . . . . 1.58 109.959 -178.663 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -56.34 -38.66 71.65 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 110.02 -0.363 . . . . 0.89 110.02 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' B' ' 16' ' ' SER . 94.0 m -55.13 -38.17 67.87 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.599 -0.728 . . . . 0.64 111.22 179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.63 HG11 ' HG ' ' B' ' 6' ' ' LEU . 8.8 t -66.12 -47.85 83.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-N 115.875 -0.602 . . . . 1.17 109.85 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.454 ' CB ' ' H73' ' C' ' 14' ' ' ' DT' . 12.7 t -52.02 -50.11 62.04 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.415 -1.328 . . . . 1.13 107.415 175.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.449 HH11 ' HD3' ' B' ' 22' ' ' ARG . 29.1 mtm180 -53.16 -39.99 63.97 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 114.768 -1.106 . . . . 2.87 112.192 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 78.9 t -75.8 -42.15 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-O 120.949 0.404 . . . . 0.86 110.66 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 24.8 t -63.51 -40.4 88.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-O 121.47 0.653 . . . . 1.03 110.692 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -81.99 -4.22 56.22 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.381 -0.827 . . . . 1.25 111.452 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.456 ' OE1' ' HD3' ' B' ' 35' ' ' ARG . 3.7 mm100 52.5 39.8 28.53 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-O 121.243 0.544 . . . . 3.75 109.818 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.37 174.1 11.94 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.951 -1.022 . . . . 2.36 111.437 -177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' B' ' 29' ' ' HIS . 15.1 m -84.23 173.42 11.02 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.317 -0.856 . . . . 1.96 110.944 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' B' ' 28' ' ' SER . 56.3 m170 71.92 30.18 2.29 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.371 0.668 . . . . 1.34 111.295 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 t -124.44 123.67 66.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.189 -0.46 . . . . 1.1 110.104 178.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.532 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 53.4 m -67.81 154.85 40.65 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 123.776 0.673 . . . . 0.98 109.567 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.02 -48.17 83.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.062 0.458 . . . . 1.12 111.385 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -59.45 -54.19 49.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.569 -0.741 . . . . 3.25 110.957 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.3 OUTLIER -55.5 -34.22 64.42 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.79 -0.641 . . . . 0.77 111.225 178.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.456 ' HD3' ' OE1' ' B' ' 26' ' ' GLN . 8.5 ttm180 -67.69 -56.33 9.72 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 120.873 0.368 . . . . 3.59 111.126 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -61.47 -28.97 69.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.933 -0.576 . . . . 1.96 111.082 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.985 ' HG2' ' HB1' ' B' ' 13' ' ' ALA . 18.7 ttmm -63.1 -40.26 97.13 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.319 -0.855 . . . . 1.91 110.746 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' B' ' 42' ' ' MET . 93.5 t -75.82 -39.19 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 115.314 -0.857 . . . . 0.62 110.163 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -63.29 -38.28 90.56 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.552 -0.536 . . . . 1.68 109.552 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.26 -47.43 67.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.026 -0.534 . . . . 0.77 111.311 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.88 -28.71 24.33 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.952 -0.567 . . . . 0.65 111.429 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.602 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 44.5 mtt -64.11 -20.91 66.3 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.462 -0.79 . . . . 0.71 110.428 -178.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.68 -49.11 7.06 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 112.236 0.458 . . . . 0.9 112.236 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.3 -47.38 83.86 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.546 -0.752 . . . . 1.58 110.509 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.623 HD23 ' HA ' ' B' ' 9' ' ' VAL . 0.0 OUTLIER -72.91 -22.78 60.68 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 114.425 -1.261 . . . . 1.14 112.501 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.415 ' O ' HG12 ' B' ' 48' ' ' ILE . 0.2 OUTLIER 67.61 40.36 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.195 -1.409 . . . . 1.24 107.195 -175.266 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.638 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 2.8 t80 -49.72 116.92 1.98 Allowed 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 114.851 -1.068 . . . . 1.46 111.181 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 46' ' ' ASN . 42.6 mm -130.81 99.03 18.72 Favored Pre-proline 0 N--CA 1.44 -0.966 0 N-CA-C 103.284 -2.858 . . . . 1.34 103.284 177.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.48 ' HB3' ' OE1' ' B' ' 54' ' ' GLN . 3.5 Cg_exo -30.45 127.08 0.07 OUTLIER 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 125.047 3.831 . . . . 0.72 116.513 -175.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.464 ' HB2' HG22 ' B' ' 5' ' ' THR . 55.5 t-20 -66.55 79.05 0.11 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 114.594 -1.185 . . . . 0.85 111.181 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.484 ' NH1' ' HG2' ' B' ' 55' ' ' GLN . 3.0 mmp_? -48.39 -31.22 5.88 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 114.05 1.13 . . . . 4.55 114.05 -177.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 3.5 m -67.36 -57.91 5.74 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.598 0.713 . . . . 0.73 110.378 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.23 -35.86 71.62 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.882 -0.599 . . . . 0.64 110.758 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.48 ' OE1' ' HB3' ' B' ' 49' ' ' PRO . 20.2 mt-30 -66.8 -21.67 66.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.84 -0.618 . . . . 1.04 111.946 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.484 ' HG2' ' NH1' ' B' ' 51' ' ' ARG . 1.8 mm-40 -92.84 -24.3 18.54 Favored 'General case' 0 N--CA 1.443 -0.814 0 O-C-N 121.894 -0.504 . . . . 2.45 110.185 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' B' ' 56' ' ' LEU . 2.7 tp -79.07 -38.56 36.06 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.281 -1.007 . . . . 0.65 108.281 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.516 ' CB ' ' H21' ' C' ' 12' ' ' ' DG' . . . -82.61 0.83 41.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.433 -0.803 . . . . 1.07 111.664 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.36 -55.29 3.66 Favored Glycine 0 N--CA 1.436 -1.359 0 CA-C-O 119.481 -0.622 . . . . 1.6 114.633 178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 72.6 134.55 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.699 0.8 . . . . 5.04 110.189 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -104.51 168.86 8.81 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.014 0.435 . . . . 6.57 111.072 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 71.2 m -136.26 -40.34 0.66 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.888 0.851 . . . . 6.55 109.307 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 33.4 tp . . . . . 0 C--O 1.25 1.084 0 CA-C-N 114.752 -1.113 . . . . 8.33 108.417 179.767 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . 0.418 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.498 -1.66 0 C3'-C2'-C1' 99.309 -2.422 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.42 H2'' ' C8 ' ' C' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.089 0 C3'-C2'-C1' 99.569 -2.236 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.42 ' C8 ' H2'' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 O4'-C1'-C2' 103.814 -2.078 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.517 ' C5 ' ' H73' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O4'-C1'-C2' 103.653 -2.224 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.517 ' H73' ' C5 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.789 0 C3'-C2'-C1' 99.746 -2.11 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.511 ' C2 ' ' C2 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.199 0 C3'-C2'-C1' 100.258 -1.744 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.451 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C3'-C2'-C1' 99.823 -2.055 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 C3'-C2'-C1' 99.16 -2.529 . . . . 0.91 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.274 0 O4'-C1'-C2' 103.705 -2.177 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.456 ' C5 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C3'-C2'-C1' 99.041 -2.614 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.456 ' N4 ' ' C5 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.797 0 O4'-C1'-C2' 103.982 -1.926 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.685 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.496 -1.754 0 C3'-C2'-C1' 99.285 -2.439 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.688 ' OP1' HG21 ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.496 -1.752 0 O4'-C1'-C2' 103.996 -1.913 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.756 ' OP1' ' HB2' ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 C5'-C4'-C3' 118.101 2.267 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.525 ' H72' ' CE1' ' B' ' 17' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C3'-C2'-C1' 100.255 -1.746 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C1'-C2' 103.766 -2.122 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.468 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.206 0 O4'-C1'-C2' 104.182 -1.744 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.468 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.499 -1.537 0 C5'-C4'-C3' 117.679 1.986 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.961 0 C3'-C2'-C1' 99.895 -2.004 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.816 0 C3'-C2'-C1' 99.8 -2.071 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.594 -1.049 0 C3'-C2'-C1' 99.845 -2.039 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.408 H2'' ' C7 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.23 0 C3'-C2'-C1' 99.69 -2.15 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.408 ' C7 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.856 0 C3'-C2'-C1' 98.801 -2.785 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.934 0 C3'-C2'-C1' 99.381 -2.37 . . . . 2.36 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.306 0 C4'-C3'-C2' 101.83 -1.37 . . . . 1.99 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.433 " C2'" ' H71' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 107.164 0.967 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.486 ' C6 ' ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C3'-C2'-C1' 104.157 1.041 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.656 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.088 0 C3'-C2'-C1' 105.801 2.215 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.694 " C2'" ' H71' ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C4'-C3' 106.372 0.772 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.694 ' H71' " C2'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C3'-C2'-C1' 104.385 1.204 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.52 " H5'" " H1'" ' D' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C5'-C4'-C3' 116.122 0.948 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.476 " H5'" " H1'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C3'-C2'-C1' 104.626 1.376 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.48 " H1'" " H5'" ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C5'-C4'-O4' 108.259 -0.713 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . 0.48 " H5'" " H1'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.041 0 N19-C1'-C2' 115.892 1.058 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.434 H5'' H2'' ' D' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C5'-C4'-O4' 108.285 -0.697 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.614 ' OP1' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.531 0.715 0 C4'-C3'-C2' 102.085 -1.115 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.532 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.055 0 C5'-C4'-C3' 117.162 1.641 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.473 " H1'" " H5'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.621 1.125 0 C4'-C3'-C2' 104.394 1.194 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.561 " H1'" " H5'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.058 0 O4'-C1'-C2' 107.525 1.295 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.561 " H5'" " H1'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C4'-C3'-C2' 102.226 -0.974 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.459 " H5'" " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C5'-C4'-O4' 108.443 -0.598 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.511 ' C2 ' ' C2 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 C5'-C4'-C3' 116.048 0.898 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.488 " H5'" " H1'" ' D' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.137 0 O4'-C1'-N19 108.443 0.803 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.453 " H5'" H2'' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.593 0 O4'-C4'-C3' 104.817 -0.783 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.453 " H1'" " H5'" ' D' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.406 -1.113 0 C3'-C2'-C1' 104.641 1.386 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . 0.453 " H5'" " H1'" ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C5'-C4'-C3' 116.244 1.03 . . . . 2.22 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 ttt . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 121.166 0.507 . . . . 6.94 110.37 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.529 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 14.3 tppt? -113.64 -50.12 0.05 OUTLIER Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.275 -0.42 . . . . 5.85 110.89 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.529 ' HD3' ' HB3' ' A' ' 2' ' ' LYS . 66.5 Cg_endo -96.46 153.57 1.26 Allowed 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.14 1.893 . . . . 1.9 112.32 179.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.702 HG11 ' HG ' ' A' ' 45' ' ' LEU . 75.6 t -127.2 131.42 70.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 107.614 -1.254 . . . . 0.99 107.614 178.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 9' ' ' VAL . 4.0 p -88.05 167.08 13.99 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 113.371 0.878 . . . . 0.72 113.371 -177.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.546 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.1 pt? -67.66 -16.93 64.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.541 -1.209 . . . . 0.66 108.908 178.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -76.3 -42.14 46.3 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-N 115.745 -0.661 . . . . 0.68 109.45 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.57 -42.45 96.68 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.574 -1.269 . . . . 1.86 107.574 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 5' ' ' THR . 37.4 t -62.7 -46.65 95.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 112.736 -2.029 . . . . 0.66 110.017 178.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.79 -41.43 86.68 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.028 -0.987 . . . . 0.65 110.12 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.22 -48.48 67.69 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.948 -0.569 . . . . 2.41 110.331 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.582 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 2.4 t80 -62.17 -27.66 69.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.539 -0.755 . . . . 1.68 110.899 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -94.7 -19.3 20.52 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 115.551 -0.75 . . . . 0.71 111.188 -177.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 79.63 38.06 21.61 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 110.924 -0.87 . . . . 0.68 110.924 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 35.9 m -132.81 -169.23 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 114.84 -0.68 . . . . 0.62 110.527 -177.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.3 p -99.9 150.43 22.39 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.223 -1.029 . . . . 1.03 108.223 177.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.546 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 44.3 p90 -48.3 -39.17 20.91 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 123.651 0.594 . . . . 1.38 110.02 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.522 ' CD ' ' H41' ' D' ' 15' ' ' ' DC' . 0.0 OUTLIER -64.91 -30.77 71.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.114 -0.494 . . . . 2.08 112.129 178.216 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.425 ' HA ' ' HE ' ' A' ' 22' ' ' ARG . 53.3 m -63.95 -41.38 97.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.477 0.656 . . . . 0.61 109.477 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.559 ' O ' HG23 ' A' ' 24' ' ' VAL . 62.0 t -58.9 -48.32 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 114.858 -1.065 . . . . 0.65 110.824 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 19.6 m -67.63 -25.27 65.66 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 121.09 0.471 . . . . 1.22 110.126 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HE ' ' HA ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -67.7 -37.03 81.73 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 109.216 -0.661 . . . . 2.65 109.216 179.324 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 98.3 t -81.47 -48.95 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 112.022 0.379 . . . . 0.92 112.022 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 20' ' ' VAL . 41.1 t -56.42 -44.38 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 115.912 -0.586 . . . . 0.94 111.22 -178.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.629 HD21 ' P ' ' D' ' 14' ' ' ' DT' . 84.0 m-20 -85.83 -37.04 19.63 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.326 0.862 . . . . 1.24 113.326 -178.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.411 ' HB2' ' H ' ' A' ' 27' ' ' ALA . 37.5 mt-30 -139.31 -92.7 0.18 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.737 1.014 . . . . 4.46 113.737 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' H ' ' HB2' ' A' ' 26' ' ' GLN . . . 102.02 120.76 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.622 1.969 . . . . 2.66 108.931 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 23.4 p 159.57 -0.59 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.561 1.172 . . . . 2.08 109.982 -177.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.616 ' HB3' ' H72' ' C' ' 3' ' ' ' DT' . 1.8 m-70 -131.9 15.66 4.75 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.504 -1.68 . . . . 1.63 106.641 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -138.29 126.36 29.88 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 CA-C-N 114.048 -1.433 . . . . 1.05 108.703 -178.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.455 ' H ' " H3'" ' C' ' 3' ' ' ' DT' . 12.7 p -63.26 146.66 52.95 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 123.76 0.663 . . . . 1.29 110.779 -179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.5 -37.83 70.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.672 . . . . 1.09 111.452 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -51.54 -45.36 62.97 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.042 -0.526 . . . . 3.08 111.301 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -89.51 -33.74 16.65 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.856 -0.611 . . . . 0.98 112.115 -179.139 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -56.76 -57.61 11.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.83 0.348 . . . . 3.63 111.767 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -64.99 -18.41 65.27 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.608 0.718 . . . . 1.72 110.06 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.0 ttmm -83.55 -28.95 28.24 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.068 -0.969 . . . . 1.44 110.259 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 34' ' ' THR . 88.9 t -78.35 -40.99 25.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.267 0.556 . . . . 0.68 109.663 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.05 -32.94 71.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.277 -0.874 . . . . 1.7 109.054 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.622 ' O ' ' HG2' ' A' ' 44' ' ' GLU . . . -78.43 -33.43 48.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.571 -1.195 . . . . 0.78 111.011 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.665 ' O ' HD22 ' A' ' 45' ' ' LEU . . . -60.56 -42.13 95.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.133 0.492 . . . . 0.79 109.688 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.6 mtt -57.71 -28.75 64.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.726 -1.125 . . . . 0.87 113.256 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.77 -30.26 29.05 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.643 0.735 . . . . 0.93 110.05 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.622 ' HG2' ' O ' ' A' ' 40' ' ' ALA . 57.1 mm-40 -67.9 -58.98 3.66 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.269 -1.332 . . . . 1.55 112.503 -178.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.702 ' HG ' HG11 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -88.37 -4.54 58.64 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.483 -0.781 . . . . 1.79 111.839 -179.331 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 28.1 m120 71.28 70.66 0.17 Allowed 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.575 0.547 . . . . 2.2 111.721 178.415 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.556 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 17.8 t80 -84.79 127.97 34.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.689 -0.687 . . . . 1.38 111.632 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -122.12 106.16 36.4 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 115.958 -0.564 . . . . 1.39 109.72 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -54.69 120.92 8.89 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.889 2.392 . . . . 0.78 112.03 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -77.9 103.5 7.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.566 . . . . 0.69 110.639 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 23.0 mmt180 -66.26 -25.86 67.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.14 -0.482 . . . . 4.2 111.307 -179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -67.86 -37.94 82.46 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.801 -0.815 . . . . 0.7 108.801 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -76.76 -39.6 51.09 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 114.924 -1.035 . . . . 0.53 109.335 178.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -60.6 -34.52 74.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.903 -1.044 . . . . 1.67 109.917 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 51.9 mt-30 -75.89 -38.28 57.98 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.994 -0.372 . . . . 2.66 109.994 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.74 HD21 ' N3 ' ' C' ' 11' ' ' ' DG' . 7.4 tp -61.14 -53.76 52.97 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.738 -0.665 . . . . 0.61 112.144 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.19 -21.45 24.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.375 -0.375 . . . . 0.85 111.883 -178.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -70.19 -17.19 73.77 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.854 -0.689 . . . . 1.86 113.642 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.9 tptt 64.21 45.02 4.14 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.693 0.759 . . . . 6.17 110.597 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -85.49 60.02 5.99 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.908 -1.042 . . . . 6.76 110.603 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.1 7.98 44.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.868 -0.605 . . . . 7.52 111.281 -179.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.6 mt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.927 -0.559 . . . . 9.27 110.571 -179.704 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 39.3 tpp . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 120.439 0.161 . . . . 6.54 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.453 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 79.7 mttt -71.47 -57.32 4.5 Favored Pre-proline 0 N--CA 1.462 0.166 0 N-CA-C 109.407 -0.59 . . . . 5.5 109.407 179.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 40.8 Cg_endo -69.59 114.49 3.69 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 121.529 1.486 . . . . 1.75 110.577 177.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.707 HG21 ' O ' ' B' ' 45' ' ' LEU . 74.4 t -95.78 160.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.699 -0.482 . . . . 0.83 109.699 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.524 HG21 ' OP1' ' C' ' 12' ' ' ' DG' . 14.0 p -134.34 159.85 39.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.741 -0.663 . . . . 0.68 109.959 -178.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.672 ' HG ' HG11 ' B' ' 20' ' ' VAL . 3.8 tt -56.46 -26.25 53.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.174 0.511 . . . . 0.66 109.776 177.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.563 ' CE2' " H2'" ' C' ' 12' ' ' ' DG' . 56.4 m-85 -65.55 -39.74 92.05 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.133 -0.485 . . . . 1.22 110.668 179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.7 -40.1 95.96 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.827 -0.805 . . . . 1.45 108.827 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.591 ' HA ' HD23 ' B' ' 45' ' ' LEU . 38.4 t -62.99 -43.63 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 0 CA-C-N 114.386 -1.279 . . . . 0.55 109.507 179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.746 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -56.58 -59.73 4.57 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.524 -0.762 . . . . 0.63 111.672 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -54.55 -51.84 63.96 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.649 -1.159 . . . . 2.46 112.136 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.567 ' CB ' HD21 ' B' ' 45' ' ' LEU . 35.1 t80 -62.1 -50.12 73.2 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.383 0.512 . . . . 1.39 112.383 -178.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' B' ' 37' ' ' LYS . . . -63.4 -21.65 66.41 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.806 -0.634 . . . . 0.69 111.36 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.48 48.57 7.96 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.437 -0.887 . . . . 1.09 111.091 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.458 HG12 HG22 ' B' ' 34' ' ' THR . 22.8 m -139.12 169.17 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 0 N-CA-C 108.579 -0.897 . . . . 0.62 108.579 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 51.4 p -81.52 164.54 21.9 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 109.307 -0.627 . . . . 1.31 109.307 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.514 ' HE1' HD22 ' B' ' 6' ' ' LEU . 1.9 t80 -53.96 -54.34 40.27 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 123.725 0.81 . . . . 1.58 111.043 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.475 ' HG3' ' HG3' ' B' ' 22' ' ' ARG . 48.5 tp60 -54.74 -35.86 64.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.738 -0.665 . . . . 0.89 111.34 179.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -59.06 -42.74 91.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.459 0.647 . . . . 0.64 111.114 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.746 HG21 ' HB2' ' B' ' 10' ' ' ALA . 3.4 t -63.34 -48.37 87.65 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 CA-C-N 115.162 -0.926 . . . . 1.17 110.226 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . 0.478 ' OG ' ' H71' ' C' ' 14' ' ' ' DT' . 66.5 m -62.6 -46.05 90.06 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.544 -0.91 . . . . 1.13 108.544 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.57 ' HB3' ' HB2' ' B' ' 27' ' ' ALA . 6.4 mtt-85 -50.66 -45.09 57.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.005 -1.452 . . . . 2.87 111.981 178.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.8 t -76.11 -25.74 17.0 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-O 121.433 0.635 . . . . 0.86 110.573 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.97 -23.83 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 CA-C-N 115.59 -0.732 . . . . 1.03 109.689 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -103.11 -91.01 0.36 Allowed 'General case' 0 N--CA 1.436 -1.15 0 CA-C-N 116.078 -0.51 . . . . 1.25 111.596 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -165.94 52.08 0.09 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.87 0.693 . . . . 3.75 112.87 -176.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.57 ' HB2' ' HB3' ' B' ' 22' ' ' ARG . . . -65.98 110.13 2.8 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.876 0.695 . . . . 2.36 112.876 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.5 m -72.51 -52.47 15.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.243 -0.89 . . . . 1.96 112.609 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 p80 -88.22 67.6 8.81 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.49 0.662 . . . . 1.34 111.791 -178.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 37.7 t -143.58 141.72 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 107.542 -1.281 . . . . 1.1 107.542 178.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.9 p -66.5 151.22 47.68 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.852 -0.339 . . . . 0.98 110.119 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.15 98.01 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.075 -0.25 . . . . 1.12 111.318 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -52.79 -55.77 20.52 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.822 0.344 . . . . 3.25 111.471 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.505 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.6 OUTLIER -57.8 -37.29 73.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.643 -0.708 . . . . 0.77 111.833 -178.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -66.82 -49.1 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.971 0.415 . . . . 3.59 110.801 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -64.85 -34.94 79.57 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.806 -0.634 . . . . 1.96 111.283 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' B' ' 13' ' ' ALA . 4.0 tppp? -63.11 -42.29 99.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.95 -0.568 . . . . 1.91 111.818 -178.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.578 HG13 HG13 ' B' ' 20' ' ' VAL . 62.1 t -65.69 -42.46 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.634 -0.257 . . . . 0.62 111.345 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -68.11 -30.93 70.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.905 0.383 . . . . 1.68 109.974 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.21 -46.17 35.64 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 116.125 -0.489 . . . . 0.77 110.935 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.443 ' O ' HD22 ' B' ' 45' ' ' LEU . . . -54.02 -25.34 20.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.264 0.554 . . . . 0.65 111.418 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' B' ' 38' ' ' VAL . 62.2 mtt -64.83 -20.86 66.63 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.806 -0.633 . . . . 0.71 110.478 179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -89.01 -51.43 5.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.626 -0.715 . . . . 0.9 110.838 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.69 -51.13 68.31 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.696 0.76 . . . . 1.58 111.297 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.707 ' O ' HG21 ' B' ' 4' ' ' VAL . 0.2 OUTLIER -73.69 -14.55 61.17 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.943 -1.026 . . . . 1.14 112.339 -179.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 63.82 43.33 5.51 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 107.607 -1.257 . . . . 1.24 107.607 -175.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.608 ' HA ' ' HB ' ' B' ' 4' ' ' VAL . 5.9 t80 -58.65 127.42 32.1 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.256 -0.884 . . . . 1.46 110.891 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 74.2 mt -136.34 105.3 9.34 Favored Pre-proline 0 N--CA 1.438 -1.028 0 N-CA-C 104.515 -2.402 . . . . 1.34 104.515 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -34.81 127.79 0.22 Allowed 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 123.903 3.069 . . . . 0.72 114.881 -176.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -63.05 90.54 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.03 -0.986 . . . . 0.85 109.599 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -51.89 -22.74 4.06 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.843 1.053 . . . . 4.55 113.843 -177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 19.6 m -82.15 -57.06 3.56 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.126 -0.63 . . . . 0.73 110.666 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.76 -33.52 74.04 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.791 -0.64 . . . . 0.64 110.382 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -71.04 -26.51 63.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 1.04 110.385 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.444 ' HA ' ' HA ' ' B' ' 60' ' ' GLN . 4.6 tt0 -75.86 -21.73 56.92 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.105 -1.072 . . . . 2.45 108.105 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' ' 53' ' ' ALA . 0.9 OUTLIER -84.02 -44.83 13.73 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.089 -1.414 . . . . 0.65 110.412 179.704 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 -2.94 18.08 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.199 0.444 . . . . 1.07 112.199 -178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.93 47.66 3.08 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.426 -0.892 . . . . 1.6 113.858 179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -130.12 -48.07 1.11 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.268 0.556 . . . . 5.04 109.735 178.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.444 ' HA ' ' HA ' ' B' ' 55' ' ' GLN . 67.4 mt-30 69.64 -95.29 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.563 -1.199 . . . . 6.57 110.509 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.23 66.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.128 0.49 . . . . 6.55 110.48 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.29 -0.862 . . . . 8.33 109.46 179.368 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' -1' ' ' ' DG' . . . . . 0.559 H2'' ' C8 ' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.5 -1.492 0 C3'-C2'-C1' 99.31 -2.421 . . . . 2.37 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.559 ' C8 ' H2'' ' C' ' -1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.001 0 C3'-C2'-C1' 99.547 -2.252 . . . . 2.25 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . 0.516 ' C8 ' ' C7 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.59 0 C3'-C2'-C1' 98.87 -2.736 . . . . 1.55 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ' DT' . . . . . 0.616 ' H72' ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 C2'--C1' 1.51 -0.769 0 O4'-C1'-C2' 103.905 -1.996 . . . . 1.13 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.597 ' H72' ' C5 ' ' C' ' 3' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.085 0 C3'-C2'-C1' 99.858 -2.03 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.447 ' C5 ' ' C2 ' ' C' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.047 0 C3'-C2'-C1' 100.327 -1.695 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.46 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C3'-C2'-C1' 99.802 -2.07 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . 0.434 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.504 -1.18 0 C3'-C2'-C1' 99.48 -2.3 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.434 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.057 0 C3'-C2'-C1' 99.174 -2.519 . . . . 0.99 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.409 ' C6 ' ' N4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.672 0 C3'-C2'-C1' 98.755 -2.818 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.409 ' N4 ' ' C6 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.513 -0.591 0 O4'-C1'-C2' 103.764 -2.123 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.74 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 C2'--C1' 1.497 -1.725 0 C3'-C2'-C1' 99.067 -2.595 . . . . 0.89 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.563 " H2'" ' CE2' ' B' ' 7' ' ' TYR . . . . . . . . 0 C2'--C1' 1.494 -1.894 0 C3'-C2'-C1' 99.812 -2.063 . . . . 0.61 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.492 ' N7 ' ' OH ' ' B' ' 17' ' ' TYR . . . . . . . . 0 P--O3' 1.596 -0.943 0 C3'-C2'-C1' 99.419 -2.344 . . . . 0.55 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.478 ' H71' ' OG ' ' B' ' 21' ' ' SER . . . . . . . . 0 C2'--C1' 1.511 -0.719 0 C3'-C2'-C1' 99.733 -2.119 . . . . 0.67 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.96 0 C3'-C2'-C1' 100.155 -1.818 . . . . 0.76 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.426 " H1'" " H5'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.077 0 O4'-C1'-C2' 104.008 -1.902 . . . . 0.86 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.426 " H5'" " H1'" ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.03 0 C3'-C2'-C1' 99.976 -1.946 . . . . 0.93 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.137 0 C3'-C2'-C1' 100.032 -1.906 . . . . 0.99 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.883 0 O4'-C1'-C2' 103.985 -1.923 . . . . 1.27 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.457 ' C6 ' ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.798 0 C3'-C2'-C1' 99.731 -2.121 . . . . 1.58 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.457 ' H72' ' C6 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.97 0 C3'-C2'-C1' 99.551 -2.249 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C3'-C2'-C1' 99.456 -2.317 . . . . 2.17 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' -1' ' ' ' DA' . . . . . 0.446 " H1'" " H5'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.083 0 C3'-C2'-C1' 101.188 -1.08 . . . . 2.36 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.472 H2'' ' OP2' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C4'-C3'-C2' 102.351 -0.849 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.475 " H1'" " H5'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.329 1.117 . . . . 1.57 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.475 " H5'" " H1'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C1'-O4'-C4' 110.963 0.902 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.419 " C2'" " H5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 105.533 2.024 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.419 " H5'" " C2'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 C4'-C3'-C2' 104.103 0.903 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' ' DT' . . . . . 0.404 H2'' " H5'" ' D' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 106.866 0.697 . . . . 0.87 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . 0.44 " H1'" " H5'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 C3'-C2'-C1' 104.242 1.102 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' ' DA' . . . . . 0.502 " H1'" " H5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 C5'-C4'-C3' 115.968 0.845 . . . . 1.02 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.502 " H5'" " H1'" ' D' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 C5'-C4'-C3' 115.96 0.84 . . . . 0.9 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.618 0.913 0 O4'-C1'-C2' 107.235 1.032 . . . . 1.13 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.477 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C5'-C4'-O4' 107.293 -1.317 . . . . 1.5 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.526 ' N3 ' HD21 ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.431 -0.532 0 C3'-C2'-C1' 101.435 -0.904 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.522 " H5'" ' CB ' ' A' ' 53' ' ' ALA . . . . . . . . 0 C2'--C1' 1.508 -0.939 0 C4'-C3'-C2' 104.591 1.391 . . . . 0.56 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.629 ' P ' HD21 ' A' ' 25' ' ' ASN . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C5'-C4'-C3' 116.79 1.393 . . . . 0.72 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.522 ' H41' ' CD ' ' A' ' 18' ' ' GLN . . . . . . . . 0 P--O3' 1.621 1.167 0 O4'-C1'-C2' 107.751 1.501 . . . . 0.84 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.548 ' C2 ' ' C2 ' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C2'-C3'-O3' 112.337 0.643 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.548 ' C2 ' ' C2 ' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.615 0 C4'-C3'-C2' 102.364 -0.836 . . . . 1.05 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . 0.525 ' C4 ' ' N7 ' ' D' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C1'-C2' 107.352 1.139 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . 0.525 ' N7 ' ' C4 ' ' D' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C4'-C3'-C2' 102.663 -0.537 . . . . 1.29 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . 0.495 " H2'" ' H71' ' D' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C1'-O4'-C4' 110.71 0.722 . . . . 1.43 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . 0.495 ' H71' " H2'" ' D' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 N19-C1'-C2' 115.741 0.963 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C5'-C4'-C3' 115.857 0.772 . . . . 2.22 . . . . . . . . . . 0 0 . 1 stop_ save_