data_2jv8_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 2jv8 _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 ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 121.226 0.536 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -130.92 142.94 50.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.876 0.37 . . . . 0.0 110.489 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -112.94 118.77 35.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.366 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -101.16 141.5 33.96 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 174.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -155.97 139.4 15.81 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.4 t -113.49 113.31 43.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.089 0.471 . . . . 0.0 110.264 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -110.33 105.2 14.13 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 51.06 27.57 3.4 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.601 0.761 . . . . 0.0 112.992 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.84 -13.77 22.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.88 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.03 130.99 10.41 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.766 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.1 m -90.49 128.99 36.7 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.976 0.417 . . . . 0.0 110.927 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.2 mt -97.78 120.47 47.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.686 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -107.39 110.85 22.93 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.943 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.5 mt -114.58 119.26 61.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 172.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -119.63 140.35 50.75 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 120.755 0.312 . . . . 0.0 111.037 -173.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.4 t0 60.31 30.25 19.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.501 0.667 . . . . 0.0 110.32 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.12 19.62 10.16 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.981 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.4 -163.73 1.81 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.6 t 65.25 103.8 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.023 0.44 . . . . 0.0 111.91 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -90.67 115.64 27.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.337 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.35 140.23 44.9 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.083 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.7 mt -128.18 117.52 45.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 67.12 15.48 10.08 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.941 0.877 . . . . 0.0 109.819 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.41 -10.82 65.21 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.31 -176.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -84.66 129.23 34.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.311 . . . . 0.0 110.755 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.32 124.83 23.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.296 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.481 ' HB ' HD11 ' A' ' 21' ' ' LEU . 49.7 mm -103.81 101.71 12.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.156 0.503 . . . . 0.0 110.021 177.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -83.49 108.56 16.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.663 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.481 0 CA-C-O 121.164 0.507 . . . . 0.0 110.497 176.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 N--CA 1.444 -0.736 0 CA-C-O 120.782 0.325 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -62.48 -28.17 69.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.95 -172.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -86.2 -22.66 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.529 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.644 ' HB3' ' HG1' ' A' ' 47' ' ' THR . 56.8 mt -130.79 84.7 57.77 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.089 0.471 . . . . 0.0 110.145 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.86 128.7 5.98 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 123.203 2.602 . . . . 0.0 113.128 -174.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 67.4 12.88 9.14 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.238 173.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.644 ' HG1' ' HB3' ' A' ' 44' ' ' LEU . 20.5 p -98.87 144.22 28.31 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -102.66 123.87 47.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.118 0.485 . . . . 0.0 111.342 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.84 168.29 12.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.733 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -94.69 -60.2 1.76 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.005 0.431 . . . . 0.0 111.788 -173.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -130.56 179.4 5.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.338 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 52' ' ' LEU . 1.2 tm? -72.89 -46.46 52.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.084 -175.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.89 -41.82 97.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.28 -43.76 88.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.764 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.55 ' O ' HG13 ' A' ' 59' ' ' ILE . 46.4 tp -56.57 -51.25 69.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.609 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.0 80.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.3 -177.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -71.53 -34.37 69.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.19 81.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.753 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 55' ' ' LEU . 71.9 mt -63.05 -50.53 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.69 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.23 -39.33 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.364 0.602 . . . . 0.0 110.664 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -67.54 -34.07 76.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.808 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -92.87 -25.25 18.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -171.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.452 ' HB ' ' OE1' ' A' ' 65' ' ' GLU . 46.6 p -118.47 122.64 43.23 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.062 0.458 . . . . 0.0 111.27 -178.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -75.4 -9.47 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.042 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.452 ' OE1' ' HB ' ' A' ' 63' ' ' THR . 22.7 mp0 -57.57 -37.47 73.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.038 177.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -92.55 -4.12 54.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.132 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 110.132 177.892 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 121.25 0.548 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -130.25 114.16 15.31 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.872 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.48 ' HB3' HD11 ' A' ' 15' ' ' ILE . 61.3 t60 -104.36 118.21 36.07 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.238 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.589 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -130.61 124.1 30.97 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.54 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -156.25 171.3 20.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.51 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.8 t -121.67 121.01 63.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.522 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -111.48 105.75 14.44 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 50.54 33.05 7.36 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 111.783 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.72 -28.29 14.67 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.36 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.83 119.38 5.99 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.442 -0.885 . . . . 0.0 111.602 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -91.91 125.6 36.67 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 120.683 0.278 . . . . 0.0 110.267 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.589 ' O ' ' HA ' ' A' ' 5' ' ' THR . 63.8 mt -98.09 119.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.14 102.54 10.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.719 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.48 HD11 ' HB3' ' A' ' 4' ' ' HIS . 62.5 mt -112.62 120.12 62.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.914 0.388 . . . . 0.0 110.688 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.732 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 31.0 mt-10 -109.06 128.33 54.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.007 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.1 t70 60.52 20.19 9.97 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.907 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t70 61.07 17.67 8.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.934 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 p -131.96 -39.83 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.603 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.732 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 3.0 t -76.77 106.3 8.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.6 tp -104.61 116.35 31.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.207 0.527 . . . . 0.0 111.363 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -135.16 141.62 45.96 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.066 176.189 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.5 113.3 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.558 0.218 . . . . 0.0 110.47 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 61.94 29.94 17.93 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.528 0.68 . . . . 0.0 110.786 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.93 -11.1 69.96 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.626 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.62 128.48 41.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.949 0.374 . . . . 0.0 110.065 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' HA ' HG22 ' A' ' 22' ' ' THR . 27.6 tt0 -78.95 125.24 29.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.146 0.498 . . . . 0.0 110.355 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.4 mm -88.27 104.46 14.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.487 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.616 ' H ' ' HE2' ' A' ' 43' ' ' TYR . 33.5 m -60.53 100.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.521 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.459 ' HD1' ' HB3' ' A' ' 41' ' ' SER . 24.4 t80 . . . . . 0 C--N 1.321 -0.669 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.459 ' HB3' ' HD1' ' A' ' 30' ' ' TYR . 10.0 p . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 120.58 0.229 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -87.35 61.11 6.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.384 0.612 . . . . 0.0 110.729 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.616 ' HE2' ' H ' ' A' ' 29' ' ' SER . 67.7 m-85 -139.51 -62.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.129 175.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.492 ' HG ' ' HD2' ' A' ' 45' ' ' PRO . 13.0 tp -74.74 144.68 80.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.242 -0.89 . . . . 0.0 108.935 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.492 ' HD2' ' HG ' ' A' ' 44' ' ' LEU . 36.3 Cg_endo -65.62 -169.39 0.14 Allowed 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.411 2.074 . . . . 0.0 112.564 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -79.96 48.59 0.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.058 0.456 . . . . 0.0 111.56 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.02 171.01 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.466 174.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -82.95 95.49 8.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.339 0.59 . . . . 0.0 111.385 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.462 ' CE2' HD22 ' A' ' 44' ' ' LEU . 47.4 p90 -154.4 161.15 41.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.65 174.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -158.21 -25.96 0.08 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.342 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.4 m -83.86 145.82 28.43 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.327 -0.233 . . . . 0.0 110.942 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.78 -50.43 66.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 53' ' ' LEU . 4.1 mm? -69.14 -31.01 69.38 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.95 0.405 . . . . 0.0 110.654 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -66.39 -48.71 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.463 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.46 -46.55 83.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.658 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 -46.43 81.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -71.41 -39.13 71.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.309 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.72 94.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.215 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.0 mt -64.16 -48.75 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.888 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.95 -39.54 82.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.876 0.369 . . . . 0.0 110.928 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -75.57 -28.1 58.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.849 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -94.47 -25.26 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.87 -0.519 . . . . 0.0 111.96 -175.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.9 p -127.59 122.39 33.05 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.099 0.476 . . . . 0.0 111.183 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 m -75.32 -4.5 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.384 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.79 -20.08 63.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.207 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -114.54 6.31 15.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -173.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 p . . . . . 0 C--N 1.324 -0.536 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.488 -177.794 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 4.1 m . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.7 0.286 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.455 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 49.7 t-80 -105.27 126.4 52.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.126 0.489 . . . . 0.0 110.962 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.506 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 45.2 t60 -111.94 133.72 53.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.59 175.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.07 134.95 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.108 0.255 . . . . 0.0 110.861 178.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -159.31 156.79 29.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.714 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.1 t -107.52 128.21 62.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.001 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -119.1 106.9 12.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.31 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 48.58 36.38 7.48 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.206 0.603 . . . . 0.0 112.22 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.96 -12.98 41.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.289 -0.958 . . . . 0.0 113.19 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.26 159.69 19.31 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.71 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.6 m -116.8 128.04 54.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 117.203 0.502 . . . . 0.0 110.523 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.413 HG23 HG13 ' A' ' 15' ' ' ILE . 68.7 mt -106.16 120.04 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.07 -178.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -112.07 113.96 26.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.007 173.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.506 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 49.9 mt -118.38 124.39 73.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.314 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.838 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 29.3 mt-10 -123.36 116.9 24.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.184 0.516 . . . . 0.0 111.064 172.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 25.6 t70 46.95 49.98 14.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.271 174.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 11.6 t70 75.32 -52.62 0.66 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 172.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -89.19 -34.15 16.77 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -168.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.838 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 8.3 t -76.52 108.22 9.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD2' HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -127.51 122.62 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -176.146 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.21 120.94 19.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.928 0.394 . . . . 0.0 110.916 175.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.8 mt -106.07 108.95 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.094 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 63.65 19.63 11.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.1 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -9.11 55.61 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.613 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.99 124.45 31.7 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.574 -0.368 . . . . 0.0 110.163 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.57 112.11 5.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.488 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.423 ' HB ' HD11 ' A' ' 21' ' ' LEU . 45.1 mm -100.91 93.55 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.24 0.543 . . . . 0.0 109.823 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -88.33 121.79 31.12 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.958 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.506 ' HE1' HD21 ' A' ' 55' ' ' LEU . 73.9 m-85 . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.443 -0.807 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -55.57 -30.75 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -88.29 -0.7 57.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.459 HD21 ' HG ' ' A' ' 55' ' ' LEU . 20.9 tp -156.08 86.92 3.05 Favored Pre-proline 0 N--CA 1.465 0.284 0 CA-C-O 120.716 0.293 . . . . 0.0 110.852 -177.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.47 101.52 1.47 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.322 2.014 . . . . 0.0 113.88 -176.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.4 p90 42.29 59.28 2.72 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.75 1.22 . . . . 0.0 114.077 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 48' ' ' GLN . 2.7 m -88.86 177.23 6.75 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 171.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.418 ' H ' HG22 ' A' ' 47' ' ' THR . 62.1 tt0 -76.08 93.21 3.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.211 0.529 . . . . 0.0 110.571 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -129.13 152.84 48.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.534 174.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.59 -43.01 23.76 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.4 -177.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.408 ' H ' ' HB3' ' A' ' 54' ' ' ASP . 5.2 p -170.73 -166.21 0.48 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.471 -174.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.02 -48.66 79.3 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.82 -41.32 95.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.251 0.548 . . . . 0.0 110.119 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.526 ' HA ' HH11 ' A' ' 57' ' ' ARG . 24.1 t70 -71.03 -35.9 72.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.497 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.506 HD21 ' HE1' ' A' ' 30' ' ' TYR . 9.2 tt -62.24 -46.62 88.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.978 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.7 -40.65 76.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.463 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.526 HH11 ' HA ' ' A' ' 54' ' ' ASP . 18.8 mtp-105 -67.27 -40.17 86.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.034 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.66 -38.3 87.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.166 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.0 -40.9 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.785 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.5 mt -69.68 -46.56 74.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -174.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -81.9 -36.53 28.02 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.573 -171.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.91 6.25 22.39 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.533 -0.467 . . . . 0.0 112.124 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.9 p -114.43 176.63 4.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.4 p -113.49 -30.73 2.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.901 0.381 . . . . 0.0 111.163 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -85.73 -22.18 27.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -173.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -79.25 -9.95 59.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 111.328 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.395 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 53.0 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.715 0.293 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -111.9 140.05 46.88 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.54 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 74.6 t60 -135.53 123.5 22.73 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 -177.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 2.6 m -126.78 140.96 51.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.332 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -159.98 161.88 34.21 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.2 126.14 75.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.92 0.39 . . . . 0.0 110.582 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 60' ' ' ILE . 37.4 t80 -120.96 110.95 16.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.002 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 54.13 30.63 12.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.85 0.29 56.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.183 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.38 135.92 13.19 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.929 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 23' ' ' ILE . 31.6 m -98.93 128.45 45.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.787 0.294 . . . . 0.0 110.953 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 5' ' ' THR . 72.7 mt -98.52 120.27 47.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.244 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -109.13 108.32 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.929 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.54 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 53.8 mt -113.29 122.14 66.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 176.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -124.96 123.6 40.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.36 . . . . 0.0 111.178 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 t70 56.74 35.72 26.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.67 171.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 74.66 -32.44 0.23 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 173.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -95.85 -43.03 8.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 t -71.12 116.7 11.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -176.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.624 ' HG ' ' CE1' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -122.54 116.28 23.63 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 177.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.28 141.32 45.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.414 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.446 ' HA ' ' O ' ' A' ' 12' ' ' THR . 77.7 mt -125.32 113.13 33.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 62.75 22.42 13.36 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.967 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.57 5.53 71.75 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.574 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -101.27 127.24 47.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.76 122.99 18.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.973 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.589 ' HB ' HD12 ' A' ' 21' ' ' LEU . 48.5 mm -97.7 107.64 20.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.057 177.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -73.93 100.93 3.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.365 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.624 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 5.8 m-85 . . . . . 0 CA--C 1.516 -0.36 0 CA-C-O 121.206 0.527 . . . . 0.0 109.958 174.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.665 ' HG ' HD13 ' A' ' 55' ' ' LEU . 2.9 m . . . . . 0 N--CA 1.444 -0.766 0 CA-C-O 120.77 0.319 . . . . 0.0 110.629 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -78.31 45.06 0.53 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 112.183 -172.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -123.88 -16.11 6.72 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.0 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -112.51 152.11 44.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.685 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.467 ' O ' ' HB2' ' A' ' 46' ' ' TYR . 12.8 Cg_exo -70.0 64.93 1.94 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.172 2.582 . . . . 0.0 111.683 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.467 ' HB2' ' O ' ' A' ' 45' ' ' PRO . 20.5 m-85 73.74 -53.86 0.69 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.927 0.891 . . . . 0.0 110.598 -176.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -142.61 146.25 34.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.682 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -170.13 23.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -169.66 165.26 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.136 -170.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -115.91 -48.6 2.74 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 172.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.0 m -96.9 160.79 14.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.998 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -73.18 -29.93 63.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.304 -176.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -42.04 81.27 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.91 -31.18 72.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.824 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.665 HD13 ' HG ' ' A' ' 41' ' ' SER . 6.9 tt -53.67 -48.96 68.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.998 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.51 95.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.377 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -70.95 -36.83 72.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.26 85.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.789 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 55' ' ' LEU . 77.0 mt -62.2 -50.95 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.296 178.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 8' ' ' PHE . 64.7 mt -60.75 -39.53 82.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.209 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -69.98 -43.61 71.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.652 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -25.67 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -172.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.1 p -107.74 94.02 4.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.715 0.769 . . . . 0.0 109.392 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.42 -6.02 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.099 -172.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -72.68 -13.49 61.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.27 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -96.98 7.97 45.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.864 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.823 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.6 p . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.713 0.768 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -112.83 130.33 56.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.367 171.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.432 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.5 t60 -98.45 117.82 33.73 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.886 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.67 137.07 35.25 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.705 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 6.3 tp10 -147.32 153.81 40.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 11' ' ' GLY . 95.9 t -122.53 113.36 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.88 0.371 . . . . 0.0 110.277 175.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.444 ' HB3' HD11 ' A' ' 60' ' ' ILE . 82.8 t80 -110.99 107.35 16.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.12 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 56.65 23.98 8.37 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.561 0.538 . . . . 0.0 111.729 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.84 -18.0 24.68 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.628 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 7' ' ' VAL . . . -86.76 149.15 22.19 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.171 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.8 m -100.77 116.44 32.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.09 0.471 . . . . 0.0 111.051 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.705 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 69.6 mt -98.83 121.4 49.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.509 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.484 ' HB2' ' HG1' ' A' ' 22' ' ' THR . 18.4 m-20 -116.02 103.46 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.501 HG13 HG22 ' A' ' 13' ' ' ILE . 63.9 mt -109.81 119.71 59.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.779 0.323 . . . . 0.0 110.799 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 43.7 mt-10 -111.52 123.4 50.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.842 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t70 58.08 22.93 9.5 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.524 0.515 . . . . 0.0 110.649 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 45.04 29.34 0.47 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.349 1.06 . . . . 0.0 112.506 -174.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 p -137.45 -52.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.815 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 37.3 m -67.49 115.66 7.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.749 172.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.814 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -120.11 126.64 51.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.277 0.56 . . . . 0.0 111.823 -173.744 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.484 ' HG1' ' HB2' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -136.11 141.67 44.19 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.032 174.507 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 55.9 mt -127.64 118.57 49.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 m120 57.07 21.06 6.0 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.17 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.8 -5.75 43.47 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.716 175.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 15.6 ptpt -108.64 147.83 31.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.761 0.78 . . . . 0.0 110.865 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.51 133.95 43.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.169 -171.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.814 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 50.8 mm -105.93 142.12 19.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.105 177.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -128.47 120.36 26.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.847 0.356 . . . . 0.0 110.615 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 55' ' ' LEU . 21.0 m-85 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.41 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.449 -0.503 0 CA-C-O 120.646 0.26 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -63.47 -24.34 67.78 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.159 -172.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -67.91 -22.25 65.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.115 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -118.66 156.94 51.04 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.232 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.454 ' HG2' ' OG1' ' A' ' 47' ' ' THR . 60.4 Cg_endo -75.67 -178.03 4.01 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.175 1.917 . . . . 0.0 111.625 172.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -82.54 52.46 2.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.394 0.616 . . . . 0.0 111.627 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.454 ' OG1' ' HG2' ' A' ' 45' ' ' PRO . 0.2 OUTLIER -83.48 169.16 15.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.695 174.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -86.18 91.77 8.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.33 0.586 . . . . 0.0 111.765 -177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.498 ' CD1' HD21 ' A' ' 55' ' ' LEU . 9.8 p90 -123.65 167.8 13.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.052 171.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -156.88 -35.75 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.678 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.8 m -88.4 139.77 30.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.805 0.336 . . . . 0.0 111.435 -174.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.58 -37.11 84.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.667 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.439 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 tm? -63.78 -39.57 94.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.525 ' HA ' ' HE ' ' A' ' 57' ' ' ARG . 31.4 t70 -64.53 -42.81 95.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.768 178.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.543 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 1.7 mm? -55.11 -47.34 75.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.281 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.45 -39.03 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.143 0.497 . . . . 0.0 111.185 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.525 ' HE ' ' HA ' ' A' ' 54' ' ' ASP . 47.7 mtm180 -71.54 -43.87 65.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.091 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.5 -37.76 79.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.018 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.485 HD13 ' HE1' ' A' ' 30' ' ' TYR . 75.5 mt -62.85 -50.18 80.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.996 178.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.444 HD11 ' HB3' ' A' ' 8' ' ' PHE . 64.7 mt -68.44 -38.54 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.978 0.418 . . . . 0.0 110.886 -177.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -72.07 -36.49 69.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.839 -175.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -93.33 -25.74 17.6 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -170.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.414 ' HG1' ' CD ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -135.51 130.07 34.06 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.525 0.679 . . . . 0.0 110.666 179.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -99.44 -4.18 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.335 -169.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' CD ' ' HG1' ' A' ' 63' ' ' THR . 2.1 mp0 -68.04 -5.04 15.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.24 0.543 . . . . 0.0 110.814 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -92.67 -9.17 41.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.2 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 121.203 0.525 . . . . 0.0 110.687 176.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 C--O 1.233 0.189 0 CA-C-O 121.085 0.469 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -109.97 143.88 39.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.552 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.5 t60 -123.29 126.22 46.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.871 0.367 . . . . 0.0 110.988 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -97.74 141.2 31.04 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 170.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.963 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 10.7 tp10 -146.3 143.58 29.24 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -174.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.3 t -123.35 118.2 53.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -116.63 107.03 14.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 57.31 18.62 4.44 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.217 0.607 . . . . 0.0 111.912 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.98 -16.99 22.72 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.481 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.3 141.75 24.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.914 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -91.5 116.5 28.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.597 0.237 . . . . 0.0 110.793 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.963 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.2 mt -101.26 119.42 49.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.874 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -108.47 104.77 14.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.552 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.552 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 56.7 mt -110.86 126.9 68.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.167 0.508 . . . . 0.0 111.325 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.676 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 10.3 mm-40 -114.4 124.14 51.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.845 175.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 62.96 14.97 7.97 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.308 0.575 . . . . 0.0 111.133 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.526 ' HA ' ' CG2' ' A' ' 15' ' ' ILE . 12.9 t70 66.37 5.54 3.79 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.528 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -125.07 -42.35 2.03 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 122.192 -0.317 . . . . 0.0 111.713 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.676 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 17.3 m -64.63 114.35 4.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.767 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.99 115.54 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.027 0.442 . . . . 0.0 111.134 -172.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.98 139.11 42.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.98 170.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.5 mt -128.85 120.43 52.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 60.74 22.94 12.86 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.571 0.701 . . . . 0.0 110.492 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 -12.34 66.57 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.818 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -97.26 130.33 44.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.848 -0.207 . . . . 0.0 110.463 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -80.65 142.06 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 59' ' ' ILE . 49.5 mm -105.41 127.23 60.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.03 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.4 m -62.5 103.89 0.46 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.313 0.577 . . . . 0.0 110.338 174.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.516 -176.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.449 -0.525 0 CA-C-O 120.812 0.339 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -67.83 -10.56 53.98 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -169.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -79.66 -12.27 59.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.909 HD11 HG12 ' A' ' 59' ' ' ILE . 5.3 mp -120.41 88.57 42.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.026 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.24 96.9 0.15 Allowed 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.904 2.403 . . . . 0.0 112.627 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.5 p90 43.47 56.88 4.15 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.288 1.035 . . . . 0.0 113.169 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.542 ' OG1' ' HB3' ' A' ' 44' ' ' LEU . 37.0 p -105.83 165.08 11.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.202 175.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -97.51 134.64 40.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.002 0.429 . . . . 0.0 110.943 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -158.89 176.09 12.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.271 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -143.4 -49.96 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -97.97 165.55 11.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.04 -171.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.3 tt -72.97 -46.27 53.28 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -67.79 -37.36 81.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.086 0.47 . . . . 0.0 110.309 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -60.31 -42.74 96.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.152 174.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.599 ' O ' HG13 ' A' ' 59' ' ' ILE . 50.3 tp -57.6 -50.39 73.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.718 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.77 -42.98 80.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.63 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -70.95 -34.64 71.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.801 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.15 77.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.909 HG12 HD11 ' A' ' 44' ' ' LEU . 71.2 mt -61.72 -49.92 82.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.5 178.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.14 -39.57 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.615 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -63.11 -32.62 74.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.042 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -92.79 -5.64 50.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 0.0 111.634 -173.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.3 p -126.41 138.91 53.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.378 0.609 . . . . 0.0 111.367 -178.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 p -90.98 -5.72 10.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.756 0.789 . . . . 0.0 109.537 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.3 -43.52 98.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.898 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -88.76 -31.71 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.052 0.453 . . . . 0.0 110.428 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.639 179.326 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 6.7 p . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.44 0.162 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.579 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 1.7 m170 -122.45 105.25 9.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.238 0.542 . . . . 0.0 110.5 175.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.556 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 86.4 t60 -103.75 120.7 41.48 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.442 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -119.51 128.86 54.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.806 -178.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -136.72 148.22 47.19 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.2 t -112.31 122.6 66.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.911 0.386 . . . . 0.0 110.312 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -115.88 105.29 12.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.581 177.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 51.24 27.11 3.31 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.161 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.63 -25.43 9.65 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.943 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.41 134.23 12.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.641 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -95.73 124.82 39.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.995 0.426 . . . . 0.0 111.476 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 5' ' ' THR . 74.8 mt -98.15 120.38 47.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.921 177.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.38 109.24 18.38 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.581 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.556 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 41.8 mt -109.8 127.34 66.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HG3' ' CD2' ' A' ' 3' ' ' HIS . 14.0 tt0 -125.37 132.32 52.82 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.029 0.443 . . . . 0.0 110.995 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 1.3 t70 49.0 40.96 18.21 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.097 165.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 6.0 t70 74.97 -52.65 0.67 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 173.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -95.0 -21.96 18.25 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -168.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.553 ' HB2' ' HB3' ' A' ' 16' ' ' GLU . 19.3 m -93.42 105.7 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.112 0.482 . . . . 0.0 111.635 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.576 ' HB3' ' HE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -102.98 120.69 41.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.993 176.679 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p -129.6 141.75 50.89 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.002 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.1 mt -126.07 120.33 56.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 64.19 12.61 7.23 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.332 0.587 . . . . 0.0 110.636 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.0 -35.15 4.17 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.061 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HZ2' ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.21 147.89 25.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.009 0.404 . . . . 0.0 111.392 -175.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.8 144.41 52.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.161 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.409 ' CG1' HD11 ' A' ' 21' ' ' LEU . 36.8 mm -100.74 136.23 33.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 174.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 m -98.25 132.85 43.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.495 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.576 ' HE2' ' HB3' ' A' ' 21' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.416 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -175.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.444 -0.739 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -77.77 72.34 4.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.493 0.663 . . . . 0.0 111.401 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -143.4 -63.9 0.39 Allowed 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.906 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' A' ' 59' ' ' ILE . 7.2 mp -101.02 162.24 21.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.682 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 44' ' ' LEU . 40.5 Cg_endo -68.39 83.17 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.568 2.179 . . . . 0.0 112.359 177.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.461 ' C ' ' HG1' ' A' ' 47' ' ' THR . 98.7 m-85 70.89 -69.47 0.18 Allowed 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 124.225 1.01 . . . . 0.0 110.114 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.461 ' HG1' ' C ' ' A' ' 46' ' ' TYR . 1.6 p 52.9 141.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.385 1.474 . . . . 0.0 113.964 -175.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -95.49 106.17 18.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.787 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -136.68 143.4 43.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.223 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -126.09 -10.56 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.204 0.526 . . . . 0.0 110.746 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.423 ' HB3' ' CB ' ' A' ' 54' ' ' ASP . 41.3 t -112.03 138.5 48.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.192 176.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD21 HD22 ' A' ' 21' ' ' LEU . 10.1 tt -64.79 -40.97 96.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.925 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.65 -40.08 92.09 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.484 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.423 ' CB ' ' HB3' ' A' ' 51' ' ' SER . 38.8 t70 -64.98 -41.72 95.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.358 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.38 -50.79 71.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.268 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.98 92.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.66 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -69.56 -32.8 71.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.102 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.2 90.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.634 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.51 ' HA ' HD13 ' A' ' 44' ' ' LEU . 65.5 mt -62.64 -51.26 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.387 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.5 mt -60.28 -38.84 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.029 0.443 . . . . 0.0 111.167 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -63.56 -43.47 96.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.557 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.89 -19.03 21.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.5 p -113.35 93.93 4.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.819 0.818 . . . . 0.0 109.239 172.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.1 m -74.1 -9.44 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.542 -167.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -77.88 -1.5 32.02 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.738 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -78.42 -21.39 49.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.043 0.449 . . . . 0.0 110.36 173.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.327 -0.4 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 173.814 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 121.305 0.574 . . . . 0.0 109.751 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -116.51 136.17 53.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.436 -0.802 . . . . 0.0 108.919 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.512 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 80.3 t60 -98.86 116.97 32.29 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.25 123.83 38.97 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.617 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 5.1 tp10 -147.04 136.66 22.95 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.3 p -116.74 128.04 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.231 0.539 . . . . 0.0 110.659 177.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.48 ' O ' HG21 ' A' ' 60' ' ' ILE . 47.4 t80 -129.99 110.08 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.181 -178.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 52.88 41.53 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.105 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.51 -13.95 56.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.756 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.17 132.99 11.53 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.347 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 m -88.95 131.44 35.15 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 120.972 0.415 . . . . 0.0 110.949 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.617 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.2 mt -98.44 119.39 46.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -114.63 102.77 10.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.087 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.512 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 66.2 mt -113.02 119.26 60.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -106.15 129.31 54.24 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.126 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 19' ' ' THR . 35.2 t70 61.38 13.29 4.88 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 124.005 0.816 . . . . 0.0 111.922 169.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 64.77 -9.34 0.19 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.254 0.621 . . . . 0.0 111.791 -174.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 17' ' ' ASP . 13.1 m -94.59 -33.72 12.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.894 0.378 . . . . 0.0 111.369 -174.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -101.64 148.48 25.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.377 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.56 116.3 20.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.23 137.66 42.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.485 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.538 ' C ' ' H ' ' A' ' 25' ' ' GLY . 72.6 mt -114.29 114.13 45.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 71.04 -33.91 0.28 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.718 0.807 . . . . 0.0 111.269 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' A' ' 23' ' ' ILE . . . 159.15 -20.11 0.28 Allowed Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.242 -177.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 27' ' ' GLU . 10.5 tmtt? -79.19 131.37 36.18 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.458 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -76.52 134.82 39.36 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.016 0.436 . . . . 0.0 110.855 -176.536 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.5 mm -101.69 123.18 54.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.979 0.419 . . . . 0.0 111.439 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.9 p -74.2 146.72 43.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.88 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.6 t80 . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -175.758 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.442 -0.839 0 CA-C-O 120.798 0.332 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 63.51 25.75 14.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.798 0.808 . . . . 0.0 110.403 -174.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -101.73 -56.4 2.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.351 -0.84 . . . . 0.0 108.967 174.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 58' ' ' ALA . 8.5 mp -104.45 158.92 30.93 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.061 172.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.467 ' C ' ' H ' ' A' ' 47' ' ' THR . 31.3 Cg_exo -59.39 -163.39 0.02 OUTLIER 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 123.342 2.695 . . . . 0.0 113.261 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -74.03 30.44 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.773 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.467 ' H ' ' C ' ' A' ' 45' ' ' PRO . 16.9 p -63.09 155.33 28.2 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.837 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -76.67 97.66 4.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.76 -173.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -137.39 137.91 39.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.327 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -147.47 3.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.199 0.523 . . . . 0.0 111.404 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 61.8 m -111.85 140.22 46.68 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.022 -0.424 . . . . 0.0 109.862 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.32 -41.37 98.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.704 0.288 . . . . 0.0 110.85 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.596 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 tm? -68.7 -40.32 80.07 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -62.65 -46.96 85.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.854 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.45 -43.41 93.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.295 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.72 93.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.114 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.596 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 63.6 mtm180 -65.93 -45.27 82.49 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.682 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.459 ' HB3' HD23 ' A' ' 44' ' ' LEU . . . -57.4 -39.51 76.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -176.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.51 -50.14 69.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.718 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.48 HG21 ' O ' ' A' ' 8' ' ' PHE . 70.0 mt -63.26 -38.36 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.362 0.601 . . . . 0.0 110.597 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -63.14 -37.62 87.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.756 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -96.06 -25.8 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.8 p -116.76 118.55 32.83 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.246 0.546 . . . . 0.0 110.818 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.5 m -80.76 -7.32 10.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.635 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.39 -31.36 72.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.41 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -84.45 3.25 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 111.111 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 t . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.41 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.411 0.624 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 31.9 p-80 -128.52 135.55 49.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.752 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 86.2 t60 -109.03 118.02 35.71 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -94.56 138.33 32.58 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.045 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.936 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 4.7 tp10 -143.54 136.76 27.9 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.8 t -115.91 116.64 52.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' ' 60' ' ' ILE . 11.2 t80 -129.1 108.25 10.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.127 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 56.64 25.47 10.04 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.854 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.04 -5.11 52.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.767 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.58 144.71 17.25 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.51 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.2 m -105.05 116.68 32.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.936 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.4 mt -97.2 119.82 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.862 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -113.24 105.36 13.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.583 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 66.2 mt -110.48 120.7 61.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.743 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 33.9 mt-10 -119.92 123.38 43.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.062 0.458 . . . . 0.0 112.224 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 17.8 t70 45.14 48.64 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.444 -1.253 . . . . 0.0 112.218 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 2.3 t70 75.14 -53.19 0.66 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 173.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 m -90.32 -31.39 16.94 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -167.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.743 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 4.2 t -79.49 104.31 10.01 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.423 HD21 HG12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -110.31 115.57 29.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.151 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.73 141.62 46.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.592 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.5 mt -129.29 116.33 39.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 65.44 8.54 5.09 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.572 0.545 . . . . 0.0 111.797 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.86 -10.93 49.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.805 -175.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -85.85 137.74 32.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.65 140.18 35.81 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.163 -178.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.0 mm -109.4 96.67 4.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.2 t -91.08 99.22 12.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.788 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.435 ' HE1' HD21 ' A' ' 55' ' ' LEU . 13.6 m-85 . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 172.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.444 -0.766 0 CA-C-O 120.689 0.281 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 74.68 -46.33 0.6 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.739 0.816 . . . . 0.0 111.602 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -60.76 -34.5 74.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.799 0.333 . . . . 0.0 111.405 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.831 HD11 HG12 ' A' ' 59' ' ' ILE . 6.6 mp -98.18 144.02 27.31 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.935 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -83.06 82.94 2.03 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.046 2.497 . . . . 0.0 112.27 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.0 p90 44.2 30.18 0.42 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.563 1.145 . . . . 0.0 113.281 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.24 165.16 19.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.878 0.37 . . . . 0.0 110.511 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -88.81 129.49 35.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.164 0.507 . . . . 0.0 111.583 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.54 ' CG ' ' HG ' ' A' ' 55' ' ' LEU . 7.8 p90 -159.04 158.48 33.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.023 175.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -136.45 -42.94 0.62 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.573 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.463 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 16.1 m -108.22 170.71 7.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.139 -170.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.4 -51.84 32.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -173.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.6 -38.24 77.2 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.073 0.464 . . . . 0.0 109.769 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.95 -41.77 88.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.609 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.632 ' O ' HG13 ' A' ' 59' ' ' ILE . 1.4 tt -69.05 -51.03 43.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.896 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.35 -43.09 83.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.931 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -69.17 -31.15 69.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.969 0.414 . . . . 0.0 110.8 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.15 -33.93 72.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.503 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.831 HG12 HD11 ' A' ' 44' ' ' LEU . 62.9 mt -61.66 -50.83 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.334 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 8' ' ' PHE . 70.7 mt -65.52 -39.84 86.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -177.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 28.7 ttt85 -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.452 -175.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -105.89 -24.93 12.34 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.865 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.6 p -124.65 110.34 14.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.242 0.544 . . . . 0.0 110.734 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 t -71.36 -18.71 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.131 -172.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.51 -4.45 11.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -100.71 7.26 43.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.46 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.329 -0.305 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.35 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.6 m . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.456 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 13.8 p-80 -123.29 137.72 54.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.774 -178.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.52 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 57.5 t60 -106.05 120.2 41.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.286 170.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -106.06 137.71 43.52 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -149.56 136.19 19.35 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 11' ' ' GLY . 61.0 t -107.45 115.94 49.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.239 0.542 . . . . 0.0 111.346 -176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -112.21 106.35 14.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.647 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 5.2 mm-40 54.41 36.35 25.27 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.107 0.479 . . . . 0.0 111.698 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.49 -11.99 70.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.313 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 7' ' ' VAL . . . -86.17 140.16 17.4 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.406 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.4 m -102.09 117.1 34.08 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.049 0.452 . . . . 0.0 110.815 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.4 mt -96.47 119.92 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.476 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -115.89 116.73 28.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.733 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.52 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 60.2 mt -109.65 120.25 60.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 1.034 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 42.1 mt-10 -101.96 115.98 31.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.467 -178.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.456 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 27.8 t70 51.54 42.37 29.42 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.877 170.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 19.8 t70 75.17 -12.36 0.97 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 172.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.4 p -120.93 -54.6 2.02 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -173.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 1.034 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 8.4 t -65.49 117.16 7.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.736 0.303 . . . . 0.0 110.948 -172.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.642 HD12 ' HB ' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -99.43 116.37 31.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -130.94 138.66 49.84 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.693 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.0 mt -127.44 119.66 52.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 61.36 16.94 7.86 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.073 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.19 -21.69 32.84 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.468 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -89.14 129.13 35.79 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.4 140.19 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.816 0.341 . . . . 0.0 110.652 -176.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.642 ' HB ' HD12 ' A' ' 21' ' ' LEU . 47.4 mm -104.36 120.33 54.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.951 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 m -94.36 109.49 21.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.984 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.5 p90 . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 121.475 0.655 . . . . 0.0 111.36 176.361 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.445 -0.691 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 58.15 -36.34 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 126.003 1.721 . . . . 0.0 115.241 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -67.81 -25.47 65.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.441 0.564 . . . . 0.0 111.545 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.85 153.64 37.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -66.08 -172.78 0.29 Allowed 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.154 2.569 . . . . 0.0 112.655 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -82.68 41.63 0.73 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.161 -175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.59 170.81 7.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -105.4 123.68 48.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.251 0.548 . . . . 0.0 110.313 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -134.59 120.81 20.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.619 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -106.68 -21.89 12.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.969 0.414 . . . . 0.0 110.546 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.804 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 10.5 m -79.13 126.54 30.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 21' ' ' LEU . 2.8 tm? -65.2 -44.62 87.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.036 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.97 -34.11 77.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.804 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 8.8 t0 -65.84 -41.34 91.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' O ' HG13 ' A' ' 59' ' ' ILE . 8.9 tt -59.88 -49.93 75.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.117 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.42 90.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.366 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -67.31 -39.41 85.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.967 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.49 -34.27 72.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.842 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 55' ' ' LEU . 82.8 mt -62.9 -51.04 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.49 178.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.33 -38.87 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.768 0.794 . . . . 0.0 109.659 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -58.42 -43.84 88.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.475 -1.238 . . . . 0.0 112.279 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.13 -0.41 26.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -172.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.489 ' OG1' ' HD2' ' A' ' 66' ' ' PHE . 64.2 p -120.28 126.6 50.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.126 0.488 . . . . 0.0 110.039 173.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.28 -31.0 42.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.176 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -74.92 -16.37 60.66 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -173.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.489 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 50.1 m-85 -92.39 -13.11 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.618 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 C--N 1.328 -0.367 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.679 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.341 0.591 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.466 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . 17.2 p-80 -121.78 138.23 54.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.371 175.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -108.44 123.33 48.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.437 -176.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.11 134.11 54.76 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.49 176.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -160.62 163.22 32.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.741 176.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.8 t -116.08 124.8 72.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 174.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -111.51 106.28 15.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.098 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 49.57 31.21 3.98 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 175.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.42 -20.97 20.27 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.72 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.55 136.17 13.06 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.822 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -88.49 130.87 35.11 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.473 0.177 . . . . 0.0 110.871 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -102.78 119.12 50.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.871 0.367 . . . . 0.0 110.219 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -120.26 102.4 8.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.299 175.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.472 HG12 HD21 ' A' ' 21' ' ' LEU . 63.9 mt -119.77 122.92 69.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.769 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 27.3 mt-10 -121.79 117.38 26.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.22 0.533 . . . . 0.0 112.126 178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 t0 48.84 40.89 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.481 -1.236 . . . . 0.0 112.625 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t70 74.04 -35.71 0.31 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.861 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.2 p -79.56 -49.31 12.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.769 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 19.1 t -73.78 96.25 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.465 -177.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.976 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -105.79 113.12 26.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 173.378 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.87 124.5 22.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 178.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.8 mt -106.33 107.7 23.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 58.01 20.53 6.91 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.046 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.25 -19.8 13.02 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.762 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -88.15 122.85 32.19 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.444 -0.445 . . . . 0.0 110.574 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 12.4 pt-20 -80.48 120.4 24.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.412 0.625 . . . . 0.0 109.675 175.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.2 mm -90.47 116.88 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.738 -175.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 p -74.79 111.89 10.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.256 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.976 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 78.2 m-85 . . . . . 0 CA--C 1.514 -0.412 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.804 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.449 -0.517 0 CA-C-O 120.926 0.394 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -68.56 -36.24 78.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.26 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.56 -25.56 61.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.955 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 59' ' ' ILE . 34.7 tp -152.75 87.19 4.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 0.0 109.912 -179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -76.17 119.6 5.38 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.185 2.59 . . . . 0.0 113.62 -171.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 57.59 64.53 1.55 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.491 170.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.423 ' HG1' ' HG ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -83.78 172.8 11.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.021 176.23 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -90.33 86.58 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.498 ' CD1' HD12 ' A' ' 55' ' ' LEU . 50.3 p90 -131.9 171.15 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.068 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -115.7 -45.35 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.84 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.7 p -118.37 168.19 10.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.792 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.7 tp -70.2 -33.06 71.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.119 0.485 . . . . 0.0 110.065 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -42.26 87.35 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.26 -37.66 88.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.292 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.498 HD12 ' CD1' ' A' ' 49' ' ' TYR . 57.4 tp -62.64 -44.72 95.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.973 177.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.76 -44.11 81.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.98 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.82 -34.21 71.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.837 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.64 74.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.884 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.492 ' HA ' HD22 ' A' ' 44' ' ' LEU . 64.5 mt -64.56 -49.93 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.933 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.88 -40.32 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.388 0.614 . . . . 0.0 110.159 178.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -59.06 -36.08 74.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.763 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.11 -25.35 17.19 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -173.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.1 p -82.3 137.33 34.84 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.518 0.675 . . . . 0.0 111.629 -175.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.7 m -97.54 -24.35 4.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.449 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -75.21 -33.77 61.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.962 0.41 . . . . 0.0 111.168 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -74.75 -25.76 59.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 109.879 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.3 176.353 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 m . . . . . 0 CA--C 1.519 -0.246 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.596 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 4.7 p-80 -120.99 135.83 55.12 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.458 0.647 . . . . 0.0 111.815 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -98.56 120.84 39.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.301 175.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.689 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 11.1 m -131.16 139.55 49.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.202 0.525 . . . . 0.0 110.687 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -159.78 142.47 13.71 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.985 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.6 t -96.36 116.36 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.007 0.432 . . . . 0.0 110.064 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.406 ' HE2' ' HB2' ' A' ' 61' ' ' ARG . 40.7 t80 -109.76 106.34 15.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.456 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 54.47 18.92 2.12 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.46 -17.44 14.05 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.667 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.51 133.22 11.41 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.579 ' H ' ' HB2' ' A' ' 24' ' ' ASN . 19.6 m -96.09 125.24 40.49 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.646 0.26 . . . . 0.0 111.139 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.689 ' O ' ' HA ' ' A' ' 5' ' ' THR . 69.7 mt -97.9 119.81 46.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -126.29 113.58 17.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.596 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 61.7 mt -119.6 119.22 59.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -114.14 128.22 56.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.138 0.494 . . . . 0.0 111.867 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 t0 61.4 29.58 18.57 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.412 171.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.4 t70 66.38 17.87 10.76 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.921 0.867 . . . . 0.0 110.292 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 p -140.23 -166.24 2.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.962 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 m 53.14 82.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.435 0.46 . . . . 0.0 111.75 172.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.913 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -89.73 114.77 26.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.696 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -135.27 129.38 33.49 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.612 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.432 ' HA ' ' O ' ' A' ' 12' ' ' THR . 67.3 mt -118.77 106.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.579 ' HB2' ' H ' ' A' ' 12' ' ' THR . 61.5 t30 50.56 50.98 17.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.164 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.38 -9.75 66.33 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.714 -0.675 . . . . 0.0 113.174 177.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -96.88 141.42 30.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.652 -0.322 . . . . 0.0 110.245 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.38 130.07 39.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.272 0.558 . . . . 0.0 110.461 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.723 ' HB ' HD11 ' A' ' 21' ' ' LEU . 29.6 mm -116.21 104.69 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.541 -176.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 m -75.97 -26.26 56.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.275 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.913 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 95.2 m-85 . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -170.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 N--CA 1.442 -0.863 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -58.19 -27.88 64.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 111.731 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.426 ' C ' HD12 ' A' ' 44' ' ' LEU . 93.4 m-85 -74.67 -33.62 62.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.025 0.44 . . . . 0.0 110.488 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.662 ' HB3' HG23 ' A' ' 47' ' ' THR . 8.9 mp -128.98 83.34 66.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.176 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.51 139.1 30.84 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.434 2.09 . . . . 0.0 113.034 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 61.44 22.86 13.21 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.302 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.662 HG23 ' HB3' ' A' ' 44' ' ' LEU . 6.6 p -76.89 150.59 36.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.906 0.384 . . . . 0.0 111.445 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -99.87 127.11 46.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.788 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -150.74 172.53 15.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.242 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -125.14 -46.76 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.212 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.5 t -111.47 164.29 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -176.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.96 -40.56 65.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.849 0.357 . . . . 0.0 110.526 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.38 -39.8 89.31 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.73 -42.8 93.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.529 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 59' ' ' ILE . 1.3 tt -59.37 -46.64 88.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.268 178.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.08 82.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -66.86 -38.54 86.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.49 75.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 55' ' ' LEU . 84.5 mt -62.23 -48.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.584 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -69.39 -40.66 80.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.217 0.532 . . . . 0.0 110.964 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 50.0 ttt180 -62.99 -38.04 89.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.94 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.655 ' HB3' HD21 ' A' ' 44' ' ' LEU . 17.8 t70 -89.99 -1.76 58.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.671 -172.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.1 p -116.04 -174.71 2.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.866 0.365 . . . . 0.0 111.145 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.5 t -129.81 -50.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.344 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -85.78 18.19 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -173.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.57 -3.26 58.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.025 0.44 . . . . 0.0 110.599 174.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.608 174.844 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 CA--C 1.535 0.368 0 CA-C-O 122.181 0.991 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.543 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 1.4 p80 -99.52 143.63 29.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.912 -172.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -113.8 118.2 33.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.51 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.28 128.45 55.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.834 177.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -155.99 145.14 20.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.58 -172.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.9 t -113.48 125.21 70.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.861 0.362 . . . . 0.0 110.035 176.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.424 ' O ' HG22 ' A' ' 60' ' ' ILE . 42.8 t80 -125.87 107.39 10.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.111 -177.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 56.7 29.31 15.6 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.719 0.408 . . . . 0.0 111.774 176.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.01 -10.06 58.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.686 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.406 ' HA3' HD13 ' A' ' 60' ' ' ILE . . . -90.74 145.29 17.82 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.085 -0.579 . . . . 0.0 111.769 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -106.51 123.16 47.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.436 HD12 ' HB1' ' A' ' 56' ' ' ALA . 37.4 mm -97.84 120.21 46.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -120.04 101.94 8.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.382 176.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 64.1 mt -113.63 120.54 63.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 10.1 tt0 -120.26 133.87 55.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.576 0.227 . . . . 0.0 110.678 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 59.89 14.23 4.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.271 171.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 57.01 18.5 4.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 122.894 0.478 . . . . 0.0 111.577 -174.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.6 p -126.46 -42.26 1.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.251 0.548 . . . . 0.0 110.667 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 16' ' ' GLU . 51.1 m -85.61 103.9 14.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.386 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.81 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -101.18 115.55 30.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 177.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.7 132.0 36.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.8 mt -116.97 114.72 46.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m120 62.24 24.38 14.51 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.338 0.589 . . . . 0.0 110.694 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.76 -6.4 77.02 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.416 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -94.12 122.95 37.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -70.39 128.97 38.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.092 0.472 . . . . 0.0 111.086 -177.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.787 ' HB ' HD12 ' A' ' 21' ' ' LEU . 47.5 mm -107.84 98.66 7.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.044 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 m -82.99 108.83 16.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.728 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.81 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 84.0 m-85 . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -165.04 -57.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.258 177.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.43 ' O ' ' HD3' ' A' ' 45' ' ' PRO . 13.2 m-85 -76.05 -27.17 57.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.911 -175.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -115.0 86.93 14.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.704 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 43' ' ' TYR . 2.8 Cg_exo -75.89 136.76 19.02 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.918 2.412 . . . . 0.0 112.59 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 62.9 66.57 0.74 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.579 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.17 154.27 51.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.891 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -96.17 98.37 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 111.053 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.1 172.11 17.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.52 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -163.52 -35.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.805 0.336 . . . . 0.0 111.881 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.522 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 15.1 m -87.59 155.39 19.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.495 -174.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -64.96 -50.89 64.62 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.544 0.211 . . . . 0.0 111.363 -171.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.34 -38.44 84.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.335 0.588 . . . . 0.0 109.669 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 5.5 t70 -58.64 -41.48 86.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.76 175.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 51' ' ' SER . 63.6 mt -61.23 -52.67 63.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.253 177.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.436 ' HB1' HD12 ' A' ' 13' ' ' ILE . . . -62.68 -45.15 94.11 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.768 -175.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.62 -37.26 76.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.76 84.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.645 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 55' ' ' LEU . 88.7 mt -62.92 -49.78 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.027 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 8' ' ' PHE . 68.2 mt -66.04 -39.93 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.196 0.522 . . . . 0.0 110.586 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -58.88 -36.38 74.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.501 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.0 9.48 38.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 p -125.49 157.94 35.72 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.275 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.4 m -107.27 -17.58 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.455 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.59 -24.81 61.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.66 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -99.5 15.01 27.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.848 0.356 . . . . 0.0 111.133 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.57 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 121.0 0.428 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -86.92 132.31 33.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.818 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -107.17 120.6 42.54 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.825 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -94.89 139.42 31.35 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 171.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 1.008 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 14.9 tp10 -143.78 136.5 27.24 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.2 t -122.96 116.51 48.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 60' ' ' ILE . 38.5 t80 -127.46 113.96 16.86 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.973 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 59.0 24.07 12.26 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.512 0.508 . . . . 0.0 111.371 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.76 -3.48 60.86 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.915 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.23 137.0 13.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.271 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 m -93.46 121.23 34.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 1.008 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 80.6 mt -98.3 120.22 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.324 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.25 115.39 30.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.019 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.3 mt -110.11 120.53 61.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.811 0.338 . . . . 0.0 110.493 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.495 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 26.1 mt-10 -125.43 134.7 52.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.697 -177.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 4.3 t70 51.11 27.73 3.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.066 171.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 22.6 t70 74.12 -49.66 0.68 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.464 0.705 . . . . 0.0 112.454 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 m -89.62 -24.12 21.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -173.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.495 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 20.5 t -78.24 102.57 7.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.907 0.384 . . . . 0.0 110.372 -177.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.449 HD13 ' HB ' ' A' ' 28' ' ' ILE . 0.4 OUTLIER -98.8 118.07 34.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.261 178.837 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.4 140.86 45.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.868 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.5 mt -131.18 120.74 47.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 66.46 11.02 7.77 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.469 0.652 . . . . 0.0 110.409 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.8 -5.84 60.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.783 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -89.99 126.86 35.9 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -76.53 131.52 39.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.364 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.449 ' HB ' HD13 ' A' ' 21' ' ' LEU . 51.0 mm -108.75 102.8 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.924 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.5 m -89.07 116.59 27.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.338 173.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.451 0.643 . . . . 0.0 111.941 -179.599 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.446 -0.652 0 CA-C-O 120.671 0.272 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -64.55 -16.5 62.72 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -85.81 -4.36 59.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.992 0.425 . . . . 0.0 110.141 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.75 ' HG ' ' HB ' ' A' ' 47' ' ' THR . 15.7 tp -125.25 86.15 57.33 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.582 -175.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -65.55 101.37 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.505 2.803 . . . . 0.0 113.696 -171.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 71.09 -4.06 1.88 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.918 173.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.75 ' HB ' ' HG ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -69.63 164.22 23.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.145 0.498 . . . . 0.0 110.825 -178.386 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -128.35 151.32 49.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.304 -178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -143.92 165.66 27.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.821 0.343 . . . . 0.0 110.613 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -83.17 -53.86 5.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.824 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 p -156.09 -166.28 2.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.09 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.86 -46.51 89.12 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -171.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.09 -47.48 79.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.1 0.476 . . . . 0.0 110.047 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.57 -33.96 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.664 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.19 -51.72 68.21 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.943 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.61 93.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.04 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -66.93 -38.84 86.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.699 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.03 88.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.3 mt -62.91 -49.33 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 8' ' ' PHE . 71.2 mt -61.44 -39.72 83.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.812 0.339 . . . . 0.0 111.17 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.43 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 33.8 ttp180 -68.64 -43.53 76.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.778 0.323 . . . . 0.0 111.361 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -25.72 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.064 0.459 . . . . 0.0 111.423 -173.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.7 p -124.25 94.49 4.23 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.617 0.722 . . . . 0.0 109.754 173.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.2 m -73.84 -1.49 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.791 -170.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -74.41 1.33 11.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.203 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -94.96 -2.84 49.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.249 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.296 177.429 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.082 0.468 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.419 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 2.0 p80 -102.09 143.09 32.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.587 -178.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.543 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.9 t60 -110.74 116.56 31.51 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -102.87 135.64 44.17 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -159.54 140.36 12.43 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.487 -174.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.3 t -117.0 114.75 46.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -110.55 107.67 17.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.037 -177.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 58.53 10.73 1.47 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.28 0.632 . . . . 0.0 112.524 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.28 -13.55 8.93 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.712 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.12 146.98 19.37 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.969 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -101.28 116.63 33.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.745 0.307 . . . . 0.0 110.77 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.5 mt -99.08 120.19 48.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -116.63 102.4 9.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.04 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.543 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 64.5 mt -113.18 123.22 68.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 121.182 -0.207 . . . . 0.0 110.607 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 20' ' ' SER . 2.3 tm-20 -118.41 131.07 56.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.457 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 36.0 t70 57.46 24.45 10.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.623 172.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 5.6 t70 74.64 -48.37 0.65 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.354 0.661 . . . . 0.0 112.46 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.4 m -94.98 -14.63 24.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -171.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 16' ' ' GLU . 36.8 m -92.3 97.86 11.14 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.8 tp -108.02 123.97 49.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.284 0.564 . . . . 0.0 112.05 -172.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.03 142.11 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.509 176.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.526 HD12 HG13 ' A' ' 28' ' ' ILE . 63.3 mt -125.2 117.28 49.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 m120 59.33 26.56 15.44 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.894 -177.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.49 -8.12 77.27 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.775 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -94.56 127.45 40.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.86 111.98 4.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.549 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.526 HG13 HD12 ' A' ' 23' ' ' ILE . 49.3 mm -100.68 99.53 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.227 0.537 . . . . 0.0 109.927 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -95.46 124.02 39.28 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.177 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 172.715 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.2 p . . . . . 0 N--CA 1.443 -0.807 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -85.39 22.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.615 0.722 . . . . 0.0 110.306 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.08 -51.54 2.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 172.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 59' ' ' ILE . 8.1 mp -124.43 86.44 55.04 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.528 172.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.487 ' HB2' ' HD1' ' A' ' 46' ' ' TYR . 72.4 Cg_endo -89.06 133.29 2.4 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.785 2.323 . . . . 0.0 112.767 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.487 ' HD1' ' HB2' ' A' ' 45' ' ' PRO . 59.3 m-85 68.7 12.4 8.66 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.505 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.01 170.31 16.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.341 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -94.78 108.42 20.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.29 0.567 . . . . 0.0 111.438 -175.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.425 ' CD2' ' HG ' ' A' ' 55' ' ' LEU . 17.8 p90 -131.31 143.81 50.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.877 174.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -91.58 -36.48 13.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.128 0.49 . . . . 0.0 111.391 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.0 t -137.77 167.0 22.61 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.288 -176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.98 -42.17 99.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.807 0.337 . . . . 0.0 110.76 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.415 HD23 HD12 ' A' ' 15' ' ' ILE . 3.1 tm? -67.66 -35.22 78.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.225 0.536 . . . . 0.0 109.639 178.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -64.33 -36.08 82.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.101 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 49' ' ' TYR . 1.7 tt -63.9 -47.23 81.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.998 176.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.16 80.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.002 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -66.02 -39.55 90.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.561 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.85 -38.18 81.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.895 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.433 ' HA ' HD13 ' A' ' 44' ' ' LEU . 79.3 mt -62.61 -49.19 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.63 -39.81 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.203 0.525 . . . . 0.0 110.523 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -62.11 -32.31 72.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.517 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -95.15 -6.51 41.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.7 -173.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.4 p -116.32 175.87 5.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.114 0.483 . . . . 0.0 111.596 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.2 t -121.12 -32.72 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.222 176.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.22 -25.73 67.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.478 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -80.08 73.65 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.549 0.69 . . . . 0.0 110.036 175.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.791 -178.663 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.505 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 39.9 p . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.279 0.561 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -88.71 111.37 21.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.486 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.588 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 78.3 t60 -96.31 120.41 36.55 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -125.01 142.02 51.76 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.62 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.55 153.1 22.61 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.979 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.37 114.35 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.865 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.48 ' HB3' HD13 ' A' ' 60' ' ' ILE . 31.8 t80 -109.82 107.54 17.55 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 53.89 28.69 8.78 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.09 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.62 -1.2 61.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.659 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.78 141.88 15.84 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.637 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -90.31 119.77 30.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.788 0.328 . . . . 0.0 110.994 -177.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mm -98.0 119.84 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.905 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.86 107.53 14.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.367 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.588 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 68.1 mt -116.31 119.95 63.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -110.77 144.2 40.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.404 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.505 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 25.3 t70 57.95 29.03 17.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.192 171.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 t70 70.65 -6.86 1.14 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.365 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -132.11 -42.08 0.99 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -170.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 50.9 m -67.01 122.72 18.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.859 0.362 . . . . 0.0 111.354 -176.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.466 HD23 HG12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -107.33 116.92 32.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.735 -175.097 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -135.6 138.52 43.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 175.64 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 56' ' ' ALA . 61.5 mt -135.57 128.34 47.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 65.52 14.31 9.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.581 0.705 . . . . 0.0 110.972 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.04 5.09 68.28 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.924 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -110.4 134.76 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HA ' HG21 ' A' ' 22' ' ' THR . 35.9 tt0 -74.91 142.28 44.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.015 0.436 . . . . 0.0 110.85 -177.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 42.4 mm -107.98 98.56 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.477 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.4 m -76.04 112.19 12.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.378 0.609 . . . . 0.0 111.94 -176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.976 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 1.4 m . . . . . 0 N--CA 1.443 -0.79 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 41' ' ' SER . 15.7 ttm180 173.48 -58.07 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.759 171.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -55.06 -42.6 72.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.896 -173.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.494 ' HB3' HG21 ' A' ' 47' ' ' THR . 8.6 mp -123.62 87.19 52.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.693 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.02 158.68 23.9 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.531 2.154 . . . . 0.0 112.047 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 58.04 38.41 26.67 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 111.457 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.494 HG21 ' HB3' ' A' ' 44' ' ' LEU . 7.2 p -113.65 170.75 8.02 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -125.94 110.45 13.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.131 0.491 . . . . 0.0 111.199 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.52 ' CE2' HD22 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -161.95 171.55 17.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.757 178.541 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -146.69 -1.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 111.246 177.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.2 t -114.75 146.51 40.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.622 0.249 . . . . 0.0 110.882 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.47 -37.74 77.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.424 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.43 -45.85 85.74 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.25 -47.25 86.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.186 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.52 HD22 ' CE2' ' A' ' 49' ' ' TYR . 2.6 tm? -61.89 -48.23 81.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.714 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HA ' HD12 ' A' ' 23' ' ' ILE . . . -56.44 -46.25 80.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.194 0.521 . . . . 0.0 111.089 -178.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -72.0 -32.53 67.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.164 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.47 80.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.583 0.23 . . . . 0.0 111.165 178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 55' ' ' LEU . 56.9 mt -63.41 -50.22 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.558 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.48 HD13 ' HB3' ' A' ' 8' ' ' PHE . 62.6 mt -64.56 -37.69 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.429 0.633 . . . . 0.0 109.89 178.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -58.66 -35.53 72.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.77 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -101.59 -26.33 13.57 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.8 p -126.28 121.16 31.84 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.17 0.509 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 m -82.13 -11.77 12.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.11 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -70.65 -2.1 13.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -98.11 3.3 49.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.139 0.495 . . . . 0.0 110.599 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 C--N 1.325 -0.482 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 172.894 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -110.11 134.24 52.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.922 0.392 . . . . 0.0 110.357 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.53 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.4 t60 -118.81 117.36 28.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -110.74 125.05 53.1 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.291 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -142.8 141.22 31.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.519 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.2 t -106.19 124.94 61.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.002 0.429 . . . . 0.0 110.723 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -121.47 108.38 13.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.782 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 58.34 23.71 10.81 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.143 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.9 -20.59 28.83 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.345 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.26 136.62 14.32 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.958 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.1 m -89.27 127.94 35.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.897 0.38 . . . . 0.0 110.993 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.479 HG22 HG13 ' A' ' 15' ' ' ILE . 67.0 mt -98.62 119.08 46.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.597 174.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.0 103.83 13.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.065 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.53 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 61.6 mt -114.03 120.78 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.842 0.353 . . . . 0.0 110.476 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.874 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 31.2 mt-10 -122.18 123.55 41.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.759 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 65.77 14.19 9.4 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.335 0.588 . . . . 0.0 111.464 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 66.31 6.36 4.22 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.383 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -118.69 -37.22 3.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 0.0 111.27 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.874 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 30.9 t -80.47 116.49 20.55 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.621 ' HG ' ' OH ' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -120.68 116.6 25.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.119 0.485 . . . . 0.0 110.007 -179.27 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.66 131.74 36.11 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.902 177.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' A' ' 25' ' ' GLY . 64.7 mt -116.41 121.24 67.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 71.9 -12.94 0.62 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.43 0.692 . . . . 0.0 110.789 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 23' ' ' ILE . . . 120.73 4.33 10.63 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -174.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -106.85 132.98 52.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.31 135.21 50.11 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.828 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.406 HG13 HG13 ' A' ' 23' ' ' ILE . 40.3 mm -111.16 114.05 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.652 -178.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 t -113.1 150.7 31.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.975 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.621 ' OH ' ' HG ' ' A' ' 21' ' ' LEU . 8.0 m-85 . . . . . 0 C--N 1.323 -0.559 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.516 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 5.9 p . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.001 0.429 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? 175.14 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.953 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -86.68 -27.62 23.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.394 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mp -128.14 76.65 77.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.148 174.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -95.41 78.06 0.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 123.032 2.488 . . . . 0.0 112.73 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -149.77 -63.01 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.665 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.1 p -92.69 143.58 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.777 -177.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -90.15 111.22 22.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.608 0.718 . . . . 0.0 110.151 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.515 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -112.24 147.58 35.93 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.189 -179.443 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -119.29 -31.51 4.64 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -174.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.568 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 22.4 m -76.73 129.85 36.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.04 -178.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.68 -41.47 97.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.865 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.643 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 4.3 mm? -69.24 -41.45 76.96 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.281 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.568 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 38.4 t70 -58.23 -43.92 88.01 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.495 0.664 . . . . 0.0 109.996 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HG ' ' CD1' ' A' ' 49' ' ' TYR . 1.4 tt -64.14 -49.62 71.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.454 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -46.81 87.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.313 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.643 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 10.1 mtm180 -61.91 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.18 92.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -178.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.6 -48.27 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.988 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.86 -39.54 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 110.755 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -69.12 -31.79 70.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.099 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -86.23 -25.58 25.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.997 0.427 . . . . 0.0 112.11 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.2 p -109.44 170.58 7.97 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.364 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.87 -23.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.01 -50.32 72.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.413 ' HB3' HG23 ' A' ' 23' ' ' ILE . 97.8 m-85 -74.35 -17.89 60.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.367 -175.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.011 176.278 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.6 m . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.93 0.395 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.593 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 35.3 m80 -96.6 128.3 43.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.604 176.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.406 ' HB3' HD13 ' A' ' 15' ' ' ILE . 40.2 t60 -98.75 117.65 33.71 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 172.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.18 123.16 37.39 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.207 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' CD ' HH21 ' A' ' 57' ' ' ARG . 31.6 tt0 -160.16 142.04 12.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.49 -176.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.3 t -122.29 117.3 51.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 173.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.407 ' O ' HG22 ' A' ' 60' ' ' ILE . 41.1 t80 -110.84 107.71 17.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.529 -175.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 51.36 30.61 6.24 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 174.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 67' ' ' SER . . . 119.83 -33.53 4.56 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.875 178.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.66 139.48 14.76 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.812 -174.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -89.2 128.89 35.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.701 0.286 . . . . 0.0 110.75 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.8 mt -103.02 120.66 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.973 0.416 . . . . 0.0 110.376 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.29 123.57 49.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.391 176.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 62.3 mt -124.36 126.43 71.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.137 -175.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 1.114 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 20.3 mm-40 -108.95 105.55 15.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.53 173.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 11.2 t70 60.57 18.67 8.57 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.543 0.527 . . . . 0.0 111.335 171.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 17' ' ' ASP . 1.2 m-20 74.14 -42.07 0.5 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.888 0.875 . . . . 0.0 112.482 -177.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.29 -15.44 60.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -176.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 1.114 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 7.9 t -114.91 95.63 5.31 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.562 ' HB3' ' HE1' ' A' ' 30' ' ' TYR . 63.3 tp -98.96 122.05 41.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.007 0.432 . . . . 0.0 111.083 -177.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 p -129.31 121.93 28.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.755 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.1 mt -103.96 112.03 35.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 54.24 30.44 12.36 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.881 -176.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.99 -23.66 32.97 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.699 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -79.02 121.98 25.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.831 0.348 . . . . 0.0 110.513 -177.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.55 129.77 34.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.092 0.472 . . . . 0.0 110.042 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 mm -101.43 147.46 8.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.868 -172.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 41' ' ' SER . 24.3 t -94.48 158.62 15.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.562 ' HE1' ' HB3' ' A' ' 21' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.563 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 29' ' ' SER . 9.0 m . . . . . 0 N--CA 1.444 -0.757 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 70.88 -55.29 0.65 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.316 0.647 . . . . 0.0 111.613 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -84.7 -4.99 59.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.957 0.408 . . . . 0.0 111.014 -178.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.704 ' HB2' HG12 ' A' ' 59' ' ' ILE . 13.2 tp -137.8 143.98 42.4 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HD2' ' HG ' ' A' ' 44' ' ' LEU . 37.7 Cg_exo -63.21 -169.57 0.09 OUTLIER 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 123.248 2.632 . . . . 0.0 113.767 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -81.87 18.61 1.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.651 -176.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 p -65.4 158.08 27.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 111.481 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -74.92 104.64 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.334 0.588 . . . . 0.0 112.455 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.46 ' CE2' HD21 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -122.97 170.49 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.534 167.308 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -127.56 -52.98 1.36 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.4 p -112.55 164.09 13.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.356 -171.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.53 -40.62 80.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.65 -46.45 85.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.14 0.495 . . . . 0.0 109.726 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.08 -45.95 92.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.561 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' O ' HG13 ' A' ' 59' ' ' ILE . 2.7 tm? -56.79 -48.36 78.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.889 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.2 -49.89 74.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.511 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.401 HH21 ' CD ' ' A' ' 6' ' ' GLU . 97.5 mtt180 -67.77 -37.91 82.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 -179.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.3 92.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.115 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.704 HG12 ' HB2' ' A' ' 44' ' ' LEU . 51.7 mt -63.03 -49.84 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.652 0.263 . . . . 0.0 110.631 178.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 8' ' ' PHE . 70.2 mt -64.81 -39.55 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.225 0.536 . . . . 0.0 110.779 -178.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -66.76 -30.1 70.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.731 -177.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -100.46 -21.06 15.49 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -171.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.7 p -103.04 156.52 17.63 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.946 0.403 . . . . 0.0 111.119 -177.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.5 m -90.66 -30.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.126 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.85 -35.16 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.648 -176.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -86.34 -21.68 27.11 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.155 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 32.7 t . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 174.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.1 m . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -129.98 136.33 49.31 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.529 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 75.6 t60 -100.32 125.67 46.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -114.13 142.16 46.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.985 0.421 . . . . 0.0 110.299 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.626 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 7.6 tp10 -155.76 145.47 21.2 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.79 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.8 t -123.27 120.05 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.424 ' HE2' ' HB2' ' A' ' 61' ' ' ARG . 10.0 t80 -128.56 111.2 12.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 57.0 30.74 18.68 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.823 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.32 -8.17 69.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.345 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.5 147.23 18.55 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.433 ' HB ' ' HA ' ' A' ' 24' ' ' ASN . 15.7 m -102.76 139.04 38.85 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.043 -176.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.626 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 58.4 mt -108.49 120.12 59.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 173.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -117.24 104.62 11.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.82 -176.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.529 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 65.2 mt -116.24 122.54 69.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 O-C-N 122.064 -0.398 . . . . 0.0 111.344 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.665 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 1.7 mp0 -102.11 125.46 48.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 t70 62.5 14.31 6.89 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.339 0.59 . . . . 0.0 111.317 173.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 66.92 9.63 6.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.165 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -119.89 -47.41 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.688 -174.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.665 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 22.3 t -78.75 124.96 28.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.805 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -108.52 116.83 32.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.152 0.501 . . . . 0.0 110.81 -175.84 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 137.55 42.63 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.728 172.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.6 mt -116.81 108.42 24.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' HA ' ' HB ' ' A' ' 12' ' ' THR . 61.6 t30 62.34 28.04 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.35 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.77 2.14 69.93 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.517 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -103.07 123.14 46.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.81 128.69 37.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.582 ' HB ' HD12 ' A' ' 21' ' ' LEU . 44.8 mm -108.59 132.85 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 -176.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 m -95.54 115.49 27.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.19 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.805 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 56.5 m-85 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.967 173.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 44' ' ' LEU . 4.0 m . . . . . 0 N--CA 1.444 -0.774 0 CA-C-O 120.466 0.174 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.489 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -68.55 -47.93 65.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.093 0.473 . . . . 0.0 110.915 -176.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -86.66 17.45 3.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.121 -176.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.499 ' HB3' ' HB2' ' A' ' 41' ' ' SER . 16.5 tp -140.66 143.97 34.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.468 ' HD2' HD11 ' A' ' 44' ' ' LEU . 38.6 Cg_endo -68.58 -179.15 2.22 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.499 2.133 . . . . 0.0 112.613 177.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -84.5 43.8 0.99 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.159 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.93 171.07 15.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.314 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -101.97 113.44 26.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.31 0.576 . . . . 0.0 109.907 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -120.68 -173.23 2.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.002 -175.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -115.45 -67.46 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -173.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 p -134.09 -176.55 4.23 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -169.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.96 -43.45 62.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -174.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.432 HD21 ' HA ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -64.87 -37.86 89.05 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 177.583 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.08 -44.62 96.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.422 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.8 mt -57.83 -51.28 70.24 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.525 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 60' ' ' ILE . . . -57.1 -47.03 82.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.17 -177.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -66.93 -32.6 73.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.185 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.16 -36.77 72.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.187 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.6 mt -68.72 -44.87 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.683 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 56' ' ' ALA . 70.4 mt -68.44 -43.42 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -175.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.424 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 5.0 ttp180 -71.96 -43.26 65.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -169.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.65 14.92 13.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -171.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.8 p -126.18 170.73 11.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.12 -6.14 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.609 0.718 . . . . 0.0 109.754 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -87.84 0.78 55.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.246 -173.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -126.52 16.4 7.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.324 -0.524 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.109 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -89.03 106.47 18.46 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.712 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -98.67 126.18 44.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.219 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.518 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 2.5 m -129.63 141.37 50.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.773 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -159.22 161.64 36.11 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.174 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.1 t -112.71 127.23 70.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.796 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -118.12 107.41 13.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 55.04 20.56 3.29 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.095 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.32 -29.46 6.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.377 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.96 135.04 13.98 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.895 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 m -96.42 124.85 40.55 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.992 0.425 . . . . 0.0 111.44 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 5' ' ' THR . 71.2 mt -98.77 120.26 47.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.545 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -112.4 124.36 52.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.737 176.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.8 mt -110.32 120.0 60.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.216 0.532 . . . . 0.0 110.604 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.86 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 34.3 mm-40 -111.98 124.87 53.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.137 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.461 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 34.1 t70 57.34 23.92 9.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.568 173.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 13.9 t70 73.48 -24.7 0.2 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.104 177.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.425 ' H ' ' C ' ' A' ' 17' ' ' ASP . 15.4 p -103.64 -37.93 7.32 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.86 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 7.7 t -78.51 114.99 17.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.115 0.483 . . . . 0.0 110.349 -177.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -103.52 118.22 36.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.411 179.336 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 1.2 p -126.59 120.27 29.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.016 0.436 . . . . 0.0 111.066 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 83.1 mt -112.54 116.41 52.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 56.31 23.01 6.77 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.971 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.48 -0.74 58.36 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.123 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 22' ' ' THR . 14.1 mptt -95.43 138.87 32.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.006 0.403 . . . . 0.0 110.647 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -87.99 115.07 25.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.476 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 47.0 mm -102.96 135.88 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.336 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -136.65 158.65 43.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.409 ' HH ' ' HG ' ' A' ' 21' ' ' LEU . 4.9 m-85 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.19 -175.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.437 -1.091 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -71.86 5.08 2.79 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.307 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.495 ' HB2' HD21 ' A' ' 44' ' ' LEU . 62.0 m-85 -97.42 -28.25 14.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.266 -178.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.495 HD21 ' HB2' ' A' ' 43' ' ' TYR . 2.8 mm? -115.94 88.05 20.39 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.077 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.12 139.69 61.99 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.619 2.212 . . . . 0.0 112.374 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 69.05 7.79 6.45 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.652 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.4 p 54.93 133.96 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.843 1.257 . . . . 0.0 113.531 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.433 ' HG2' ' HB3' ' A' ' 44' ' ' LEU . 18.5 pt20 -152.35 31.68 0.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.055 -176.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -134.53 156.41 48.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.065 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -84.74 -57.39 3.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.678 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.4 t -142.47 -164.61 1.86 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.47 -51.01 70.46 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -173.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.98 -40.71 94.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.202 0.525 . . . . 0.0 110.181 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -68.64 -32.25 71.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.575 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 59' ' ' ILE . 8.3 tt -56.84 -45.89 82.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.988 177.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.17 99.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.81 -34.92 76.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.127 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.23 -38.06 87.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 55' ' ' LEU . 66.2 mt -62.77 -50.28 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.352 178.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.4 mt -59.92 -40.01 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.431 -176.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -79.36 -36.63 39.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -85.09 -25.9 27.26 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.468 -0.493 . . . . 0.0 112.123 -171.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.9 p -112.97 122.19 46.91 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.343 0.592 . . . . 0.0 110.369 178.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.73 -28.36 41.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.879 -173.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.91 -28.49 68.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.282 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -82.82 -4.22 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.872 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 172.858 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m 67.32 12.66 9.04 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.077 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -130.92 142.94 50.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.876 0.37 . . . . 0.0 110.489 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -112.94 118.77 35.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.366 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -101.16 141.5 33.96 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 174.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -155.97 139.4 15.81 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.4 t -113.49 113.31 43.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.089 0.471 . . . . 0.0 110.264 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -110.33 105.2 14.13 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 51.06 27.57 3.4 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.601 0.761 . . . . 0.0 112.992 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.84 -13.77 22.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.88 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.03 130.99 10.41 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.766 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.1 m -90.49 128.99 36.7 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.976 0.417 . . . . 0.0 110.927 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.2 mt -97.78 120.47 47.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.686 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -107.39 110.85 22.93 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.943 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.5 mt -114.58 119.26 61.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 172.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -119.63 140.35 50.75 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 120.755 0.312 . . . . 0.0 111.037 -173.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.4 t0 60.31 30.25 19.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.501 0.667 . . . . 0.0 110.32 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.12 19.62 10.16 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.981 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.4 -163.73 1.81 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.6 t 65.25 103.8 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.023 0.44 . . . . 0.0 111.91 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -90.67 115.64 27.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.337 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.35 140.23 44.9 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.083 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.7 mt -128.18 117.52 45.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 67.12 15.48 10.08 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.941 0.877 . . . . 0.0 109.819 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.41 -10.82 65.21 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.31 -176.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -84.66 129.23 34.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.311 . . . . 0.0 110.755 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.32 124.83 23.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.296 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.481 ' HB ' HD11 ' A' ' 21' ' ' LEU . 49.7 mm -103.81 101.71 12.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.156 0.503 . . . . 0.0 110.021 177.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -83.49 108.56 16.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.663 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -77.05 149.56 35.8 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 121.164 0.507 . . . . 0.0 110.497 176.473 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.594 HG12 ' HB3' ' A' ' 39' ' ' TRP . 39.9 t -129.04 115.47 36.5 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 171.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -85.13 159.76 20.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.933 -171.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -93.82 16.11 14.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.621 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.21 -173.55 1.35 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.333 -170.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.4 t -71.37 -32.57 47.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.992 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -62.58 -39.43 93.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.205 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -151.41 132.23 14.12 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.683 -173.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -109.28 87.56 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.009 0.433 . . . . 0.0 109.9 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.594 ' HB3' HG12 ' A' ' 31' ' ' VAL . 58.0 t-105 -162.7 165.43 25.65 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.432 ' C ' ' HB ' ' A' ' 31' ' ' VAL . 6.3 m -101.86 164.72 11.58 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.0 m -56.79 138.94 52.46 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.782 0.325 . . . . 0.0 110.453 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -62.48 -28.17 69.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.95 -172.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -86.2 -22.66 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.529 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.644 ' HB3' ' HG1' ' A' ' 47' ' ' THR . 56.8 mt -130.79 84.7 57.77 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.089 0.471 . . . . 0.0 110.145 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.86 128.7 5.98 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 123.203 2.602 . . . . 0.0 113.128 -174.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 67.4 12.88 9.14 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.238 173.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.644 ' HG1' ' HB3' ' A' ' 44' ' ' LEU . 20.5 p -98.87 144.22 28.31 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -102.66 123.87 47.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.118 0.485 . . . . 0.0 111.342 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.84 168.29 12.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.733 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -94.69 -60.2 1.76 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.005 0.431 . . . . 0.0 111.788 -173.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -130.56 179.4 5.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.338 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 52' ' ' LEU . 1.2 tm? -72.89 -46.46 52.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.084 -175.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.89 -41.82 97.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.28 -43.76 88.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.764 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.55 ' O ' HG13 ' A' ' 59' ' ' ILE . 46.4 tp -56.57 -51.25 69.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.609 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.0 80.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.3 -177.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -71.53 -34.37 69.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.19 81.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.753 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 55' ' ' LEU . 71.9 mt -63.05 -50.53 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.69 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.23 -39.33 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.364 0.602 . . . . 0.0 110.664 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -67.54 -34.07 76.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.808 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -92.87 -25.25 18.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -171.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.452 ' HB ' ' OE1' ' A' ' 65' ' ' GLU . 46.6 p -118.47 122.64 43.23 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.062 0.458 . . . . 0.0 111.27 -178.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -75.4 -9.47 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.042 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.452 ' OE1' ' HB ' ' A' ' 63' ' ' THR . 22.7 mp0 -57.57 -37.47 73.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.038 177.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -92.55 -4.12 54.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.132 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -76.19 -40.2 52.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 110.132 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.53 -104.01 1.02 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.926 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.65 88.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.901 0.381 . . . . 0.0 111.973 -174.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -176.72 106.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.459 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -98.15 -19.74 17.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.341 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.58 -151.75 13.09 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.494 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.253 1.245 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.649 177.07 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 p -66.48 105.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.25 0.548 . . . . 0.0 111.455 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -130.25 114.16 15.31 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.872 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.48 ' HB3' HD11 ' A' ' 15' ' ' ILE . 61.3 t60 -104.36 118.21 36.07 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.238 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.589 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -130.61 124.1 30.97 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.54 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -156.25 171.3 20.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.51 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.8 t -121.67 121.01 63.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.522 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -111.48 105.75 14.44 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 50.54 33.05 7.36 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 111.783 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.454 ' HA3' ' HB ' ' A' ' 69' ' ' VAL . . . 105.72 -28.29 14.67 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.36 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.83 119.38 5.99 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.442 -0.885 . . . . 0.0 111.602 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -91.91 125.6 36.67 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 120.683 0.278 . . . . 0.0 110.267 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.589 ' O ' ' HA ' ' A' ' 5' ' ' THR . 63.8 mt -98.09 119.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.14 102.54 10.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.719 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.48 HD11 ' HB3' ' A' ' 4' ' ' HIS . 62.5 mt -112.62 120.12 62.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.914 0.388 . . . . 0.0 110.688 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.732 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 31.0 mt-10 -109.06 128.33 54.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.007 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.1 t70 60.52 20.19 9.97 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.907 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t70 61.07 17.67 8.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.934 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 p -131.96 -39.83 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.603 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.732 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 3.0 t -76.77 106.3 8.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.6 tp -104.61 116.35 31.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.207 0.527 . . . . 0.0 111.363 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -135.16 141.62 45.96 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.066 176.189 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.5 113.3 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.558 0.218 . . . . 0.0 110.47 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 61.94 29.94 17.93 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.528 0.68 . . . . 0.0 110.786 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.93 -11.1 69.96 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.626 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.62 128.48 41.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.949 0.374 . . . . 0.0 110.065 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' HA ' HG22 ' A' ' 22' ' ' THR . 27.6 tt0 -78.95 125.24 29.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.146 0.498 . . . . 0.0 110.355 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.4 mm -88.27 104.46 14.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.487 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.616 ' H ' ' HE2' ' A' ' 43' ' ' TYR . 33.5 m -60.53 100.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.521 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.459 ' HD1' ' HB3' ' A' ' 41' ' ' SER . 24.4 t80 -131.75 -176.7 4.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.543 HG23 ' HA ' ' A' ' 38' ' ' LYS . 23.3 t -78.0 87.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 173.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.402 ' HD2' ' HB3' ' A' ' 30' ' ' TYR . 18.8 m170 -90.66 12.7 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.142 0.496 . . . . 0.0 110.492 -177.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -173.19 149.51 1.81 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.065 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 57.12 91.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.255 0.972 . . . . 0.0 111.472 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.2 t -62.19 -24.08 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.604 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.45 -21.27 66.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.121 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -95.34 52.06 1.37 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.772 0.32 . . . . 0.0 110.535 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.543 ' HA ' HG23 ' A' ' 31' ' ' VAL . 1.9 tmtp? -74.9 93.77 2.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.96 0.41 . . . . 0.0 111.0 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -109.58 2.08 20.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.883 174.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.7 m 64.91 -166.72 0.22 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.66 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.459 ' HB3' ' HD1' ' A' ' 30' ' ' TYR . 10.0 p -83.28 123.11 29.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.656 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -87.35 61.11 6.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.384 0.612 . . . . 0.0 110.729 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.616 ' HE2' ' H ' ' A' ' 29' ' ' SER . 67.7 m-85 -139.51 -62.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.129 175.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.492 ' HG ' ' HD2' ' A' ' 45' ' ' PRO . 13.0 tp -74.74 144.68 80.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.242 -0.89 . . . . 0.0 108.935 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.492 ' HD2' ' HG ' ' A' ' 44' ' ' LEU . 36.3 Cg_endo -65.62 -169.39 0.14 Allowed 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.411 2.074 . . . . 0.0 112.564 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -79.96 48.59 0.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.058 0.456 . . . . 0.0 111.56 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.02 171.01 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.466 174.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -82.95 95.49 8.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.339 0.59 . . . . 0.0 111.385 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.462 ' CE2' HD22 ' A' ' 44' ' ' LEU . 47.4 p90 -154.4 161.15 41.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.65 174.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -158.21 -25.96 0.08 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.342 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.4 m -83.86 145.82 28.43 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.327 -0.233 . . . . 0.0 110.942 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.78 -50.43 66.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 53' ' ' LEU . 4.1 mm? -69.14 -31.01 69.38 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.95 0.405 . . . . 0.0 110.654 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -66.39 -48.71 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.463 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.46 -46.55 83.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.658 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 -46.43 81.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -71.41 -39.13 71.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.309 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.72 94.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.215 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.0 mt -64.16 -48.75 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.888 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.95 -39.54 82.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.876 0.369 . . . . 0.0 110.928 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -75.57 -28.1 58.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.849 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -94.47 -25.26 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.87 -0.519 . . . . 0.0 111.96 -175.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.9 p -127.59 122.39 33.05 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.099 0.476 . . . . 0.0 111.183 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 m -75.32 -4.5 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.384 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.79 -20.08 63.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.207 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -114.54 6.31 15.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -173.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 p -96.39 96.96 9.08 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.488 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.66 68.02 0.49 Allowed Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.454 ' HB ' ' HA3' ' A' ' 10' ' ' GLY . 12.3 p -82.68 -20.9 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.988 0.423 . . . . 0.0 110.88 -176.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.2 tttt 65.31 -78.24 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.085 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 65.31 -67.48 0.13 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.711 0.804 . . . . 0.0 111.35 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -174.89 -67.87 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.979 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 119.197 -0.43 . . . . 0.0 109.909 178.571 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.577 ' HB3' ' HB2' ' A' ' 17' ' ' ASP . 69.9 mtm . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 4.1 m -69.17 118.01 11.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.898 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.455 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 49.7 t-80 -105.27 126.4 52.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.126 0.489 . . . . 0.0 110.962 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.506 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 45.2 t60 -111.94 133.72 53.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.59 175.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.07 134.95 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.108 0.255 . . . . 0.0 110.861 178.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -159.31 156.79 29.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.714 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.1 t -107.52 128.21 62.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.001 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -119.1 106.9 12.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.31 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 48.58 36.38 7.48 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.206 0.603 . . . . 0.0 112.22 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.96 -12.98 41.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.289 -0.958 . . . . 0.0 113.19 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.26 159.69 19.31 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.71 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.6 m -116.8 128.04 54.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 117.203 0.502 . . . . 0.0 110.523 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.413 HG23 HG13 ' A' ' 15' ' ' ILE . 68.7 mt -106.16 120.04 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.07 -178.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -112.07 113.96 26.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.007 173.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.506 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 49.9 mt -118.38 124.39 73.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.314 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.838 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 29.3 mt-10 -123.36 116.9 24.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.184 0.516 . . . . 0.0 111.064 172.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.577 ' HB2' ' HB3' ' A' ' 1' ' ' MET . 25.6 t70 46.95 49.98 14.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.271 174.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 11.6 t70 75.32 -52.62 0.66 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 172.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -89.19 -34.15 16.77 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -168.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.838 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 8.3 t -76.52 108.22 9.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD2' HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -127.51 122.62 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -176.146 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.21 120.94 19.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.928 0.394 . . . . 0.0 110.916 175.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.8 mt -106.07 108.95 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.094 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 63.65 19.63 11.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.1 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -9.11 55.61 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.613 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.99 124.45 31.7 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.574 -0.368 . . . . 0.0 110.163 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.57 112.11 5.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.488 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.423 ' HB ' HD11 ' A' ' 21' ' ' LEU . 45.1 mm -100.91 93.55 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.24 0.543 . . . . 0.0 109.823 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -88.33 121.79 31.12 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.958 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.506 ' HE1' HD21 ' A' ' 55' ' ' LEU . 73.9 m-85 -91.38 161.55 14.96 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 p -108.15 102.69 14.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-O 121.637 0.732 . . . . 0.0 109.499 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -87.91 36.14 0.76 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.167 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -127.09 147.22 50.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.324 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.55 29.36 0.85 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.238 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.6 t -72.01 -55.72 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -88.05 -67.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.355 0.597 . . . . 0.0 110.064 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -132.81 150.65 52.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.376 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -116.6 97.18 5.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.022 0.439 . . . . 0.0 110.345 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.407 ' HD1' ' O ' ' A' ' 40' ' ' SER . 47.6 p90 -102.63 178.67 4.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.733 176.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.407 ' O ' ' HD1' ' A' ' 39' ' ' TRP . 12.0 m -99.52 -172.83 2.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.467 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.93 138.22 43.83 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -55.57 -30.75 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -88.29 -0.7 57.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.459 HD21 ' HG ' ' A' ' 55' ' ' LEU . 20.9 tp -156.08 86.92 3.05 Favored Pre-proline 0 N--CA 1.465 0.284 0 CA-C-O 120.716 0.293 . . . . 0.0 110.852 -177.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.47 101.52 1.47 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.322 2.014 . . . . 0.0 113.88 -176.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.4 p90 42.29 59.28 2.72 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.75 1.22 . . . . 0.0 114.077 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 48' ' ' GLN . 2.7 m -88.86 177.23 6.75 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 171.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.418 ' H ' HG22 ' A' ' 47' ' ' THR . 62.1 tt0 -76.08 93.21 3.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.211 0.529 . . . . 0.0 110.571 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -129.13 152.84 48.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.534 174.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.59 -43.01 23.76 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.4 -177.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.408 ' H ' ' HB3' ' A' ' 54' ' ' ASP . 5.2 p -170.73 -166.21 0.48 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.471 -174.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.02 -48.66 79.3 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.82 -41.32 95.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.251 0.548 . . . . 0.0 110.119 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.526 ' HA ' HH11 ' A' ' 57' ' ' ARG . 24.1 t70 -71.03 -35.9 72.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.497 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.506 HD21 ' HE1' ' A' ' 30' ' ' TYR . 9.2 tt -62.24 -46.62 88.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.978 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.7 -40.65 76.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.463 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.526 HH11 ' HA ' ' A' ' 54' ' ' ASP . 18.8 mtp-105 -67.27 -40.17 86.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.034 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.66 -38.3 87.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.166 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.0 -40.9 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.785 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.5 mt -69.68 -46.56 74.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -174.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -81.9 -36.53 28.02 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.573 -171.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.91 6.25 22.39 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.533 -0.467 . . . . 0.0 112.124 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.9 p -114.43 176.63 4.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.4 p -113.49 -30.73 2.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.901 0.381 . . . . 0.0 111.163 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -85.73 -22.18 27.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -173.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -79.25 -9.95 59.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 111.328 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.5 t -101.18 119.1 38.24 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.76 -56.51 1.51 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.441 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.6 p -115.48 105.98 19.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.514 0.673 . . . . 0.0 111.366 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -96.59 -174.3 2.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.619 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 74.51 -54.47 0.67 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.753 0.821 . . . . 0.0 110.981 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -83.67 -1.67 90.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.058 -0.591 . . . . 0.0 112.214 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 C--O 1.243 0.754 0 CA-C-O 118.645 -0.693 . . . . 0.0 109.559 177.755 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ttt . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 53.0 p -61.62 -39.53 91.61 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.715 0.293 . . . . 0.0 111.511 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -111.9 140.05 46.88 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.54 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 74.6 t60 -135.53 123.5 22.73 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 -177.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 2.6 m -126.78 140.96 51.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.332 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -159.98 161.88 34.21 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.2 126.14 75.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.92 0.39 . . . . 0.0 110.582 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.49 ' O ' HG22 ' A' ' 60' ' ' ILE . 37.4 t80 -120.96 110.95 16.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.002 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 54.13 30.63 12.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.85 0.29 56.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.183 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.38 135.92 13.19 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.929 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 23' ' ' ILE . 31.6 m -98.93 128.45 45.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.787 0.294 . . . . 0.0 110.953 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' A' ' 5' ' ' THR . 72.7 mt -98.52 120.27 47.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.244 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -109.13 108.32 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.929 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.54 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 53.8 mt -113.29 122.14 66.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 176.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -124.96 123.6 40.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.36 . . . . 0.0 111.178 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 t70 56.74 35.72 26.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.67 171.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 74.66 -32.44 0.23 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 173.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -95.85 -43.03 8.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 t -71.12 116.7 11.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -176.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.624 ' HG ' ' CE1' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -122.54 116.28 23.63 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 177.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.28 141.32 45.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.414 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.446 ' HA ' ' O ' ' A' ' 12' ' ' THR . 77.7 mt -125.32 113.13 33.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 62.75 22.42 13.36 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.967 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.57 5.53 71.75 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.574 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -101.27 127.24 47.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.76 122.99 18.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.973 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.589 ' HB ' HD12 ' A' ' 21' ' ' LEU . 48.5 mm -97.7 107.64 20.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.057 177.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -73.93 100.93 3.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.365 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.624 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 5.8 m-85 -84.21 172.13 12.15 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.206 0.527 . . . . 0.0 109.958 174.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.596 ' HB ' ' HA ' ' A' ' 40' ' ' SER . 2.7 p -84.41 85.89 2.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-O 121.816 0.817 . . . . 0.0 109.648 175.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -82.43 87.46 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.747 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.0 t70 60.42 13.13 3.87 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.726 176.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 64.2 18.42 11.26 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.316 0.646 . . . . 0.0 111.174 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 66.0 t -96.07 -42.87 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.325 0.583 . . . . 0.0 110.235 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -102.04 10.75 39.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.118 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -163.27 178.57 8.07 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.439 ' HB3' ' H ' ' A' ' 39' ' ' TRP . 13.0 mptt -92.54 -161.58 0.85 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.439 ' H ' ' HB3' ' A' ' 38' ' ' LYS . 49.5 p90 -44.74 -38.58 4.54 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -174.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.596 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 28.6 p -157.06 -178.74 7.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.938 0.399 . . . . 0.0 110.754 174.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.665 ' HG ' HD13 ' A' ' 55' ' ' LEU . 2.9 m -61.97 123.13 17.22 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.629 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -78.31 45.06 0.53 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 112.183 -172.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -123.88 -16.11 6.72 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.0 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -112.51 152.11 44.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.685 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.467 ' O ' ' HB2' ' A' ' 46' ' ' TYR . 12.8 Cg_exo -70.0 64.93 1.94 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.172 2.582 . . . . 0.0 111.683 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.467 ' HB2' ' O ' ' A' ' 45' ' ' PRO . 20.5 m-85 73.74 -53.86 0.69 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.927 0.891 . . . . 0.0 110.598 -176.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -142.61 146.25 34.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.682 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -170.13 23.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -169.66 165.26 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.136 -170.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -115.91 -48.6 2.74 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 172.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.0 m -96.9 160.79 14.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.998 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -73.18 -29.93 63.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.304 -176.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -42.04 81.27 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.91 -31.18 72.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.824 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.665 HD13 ' HG ' ' A' ' 41' ' ' SER . 6.9 tt -53.67 -48.96 68.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.998 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.51 95.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.377 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -70.95 -36.83 72.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.26 85.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.789 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 55' ' ' LEU . 77.0 mt -62.2 -50.95 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.296 178.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 8' ' ' PHE . 64.7 mt -60.75 -39.53 82.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.209 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -69.98 -43.61 71.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.652 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -25.67 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -172.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.1 p -107.74 94.02 4.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.715 0.769 . . . . 0.0 109.392 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.42 -6.02 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.099 -172.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -72.68 -13.49 61.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.27 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -96.98 7.97 45.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.864 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 t -95.79 108.59 20.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.3 -28.39 64.05 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.651 -177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.1 p -135.46 119.07 24.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.387 0.613 . . . . 0.0 110.178 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -94.28 83.66 4.26 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.328 0.585 . . . . 0.0 110.553 -177.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -146.29 90.78 1.98 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.858 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.77 -76.42 1.12 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 171.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 C--O 1.248 1.018 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 173.375 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 mmt . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 120.516 0.198 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.6 p -71.03 -40.97 71.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.713 0.768 . . . . 0.0 109.273 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -112.83 130.33 56.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.367 171.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.432 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.5 t60 -98.45 117.82 33.73 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.886 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.67 137.07 35.25 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.705 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 6.3 tp10 -147.32 153.81 40.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 11' ' ' GLY . 95.9 t -122.53 113.36 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.88 0.371 . . . . 0.0 110.277 175.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.444 ' HB3' HD11 ' A' ' 60' ' ' ILE . 82.8 t80 -110.99 107.35 16.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.12 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 56.65 23.98 8.37 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.561 0.538 . . . . 0.0 111.729 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.84 -18.0 24.68 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.628 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.455 ' O ' ' HA ' ' A' ' 7' ' ' VAL . . . -86.76 149.15 22.19 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.171 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.8 m -100.77 116.44 32.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.09 0.471 . . . . 0.0 111.051 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.705 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 69.6 mt -98.83 121.4 49.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.509 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.484 ' HB2' ' HG1' ' A' ' 22' ' ' THR . 18.4 m-20 -116.02 103.46 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.501 HG13 HG22 ' A' ' 13' ' ' ILE . 63.9 mt -109.81 119.71 59.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.779 0.323 . . . . 0.0 110.799 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 43.7 mt-10 -111.52 123.4 50.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.842 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t70 58.08 22.93 9.5 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.524 0.515 . . . . 0.0 110.649 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 45.04 29.34 0.47 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.349 1.06 . . . . 0.0 112.506 -174.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 p -137.45 -52.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.815 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 37.3 m -67.49 115.66 7.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.749 172.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.814 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -120.11 126.64 51.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.277 0.56 . . . . 0.0 111.823 -173.744 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.484 ' HG1' ' HB2' ' A' ' 14' ' ' ASP . 1.0 OUTLIER -136.11 141.67 44.19 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.032 174.507 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 55.9 mt -127.64 118.57 49.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 m120 57.07 21.06 6.0 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.17 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.8 -5.75 43.47 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.716 175.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 15.6 ptpt -108.64 147.83 31.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.761 0.78 . . . . 0.0 110.865 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.51 133.95 43.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.169 -171.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.814 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 50.8 mm -105.93 142.12 19.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.105 177.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -128.47 120.36 26.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.847 0.356 . . . . 0.0 110.615 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 55' ' ' LEU . 21.0 m-85 -101.58 169.71 8.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.41 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.714 ' HB ' ' HA ' ' A' ' 40' ' ' SER . 3.7 p -76.57 109.27 10.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 168.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -128.42 127.48 42.63 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.438 -171.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.521 ' OD1' ' HD2' ' A' ' 36' ' ' LYS . 6.7 m-20 61.65 -160.85 0.3 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.499 177.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.28 19.21 4.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.456 0.646 . . . . 0.0 109.465 173.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.2 t -129.95 -61.68 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.166 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.521 ' HD2' ' OD1' ' A' ' 33' ' ' ASP . 88.8 mttt -54.83 -50.76 67.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.746 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.594 ' OD1' ' HA ' ' A' ' 31' ' ' VAL . 7.8 t-20 -135.52 140.96 45.16 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.618 -177.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -126.94 160.51 30.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 173.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 75.21 133.99 0.05 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.276 0.985 . . . . 0.0 109.788 -172.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.714 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 16.9 m -63.72 168.86 4.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.027 -174.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -51.06 106.3 0.13 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.637 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -63.47 -24.34 67.78 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.159 -172.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -67.91 -22.25 65.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.115 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -118.66 156.94 51.04 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.232 -178.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.454 ' HG2' ' OG1' ' A' ' 47' ' ' THR . 60.4 Cg_endo -75.67 -178.03 4.01 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.175 1.917 . . . . 0.0 111.625 172.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -82.54 52.46 2.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.394 0.616 . . . . 0.0 111.627 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.454 ' OG1' ' HG2' ' A' ' 45' ' ' PRO . 0.2 OUTLIER -83.48 169.16 15.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.695 174.805 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -86.18 91.77 8.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.33 0.586 . . . . 0.0 111.765 -177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.498 ' CD1' HD21 ' A' ' 55' ' ' LEU . 9.8 p90 -123.65 167.8 13.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.052 171.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -156.88 -35.75 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.678 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.8 m -88.4 139.77 30.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.805 0.336 . . . . 0.0 111.435 -174.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.58 -37.11 84.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.667 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.439 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 tm? -63.78 -39.57 94.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.525 ' HA ' ' HE ' ' A' ' 57' ' ' ARG . 31.4 t70 -64.53 -42.81 95.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.768 178.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.543 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 1.7 mm? -55.11 -47.34 75.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.281 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.45 -39.03 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.143 0.497 . . . . 0.0 111.185 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.525 ' HE ' ' HA ' ' A' ' 54' ' ' ASP . 47.7 mtm180 -71.54 -43.87 65.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.091 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.5 -37.76 79.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.018 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.485 HD13 ' HE1' ' A' ' 30' ' ' TYR . 75.5 mt -62.85 -50.18 80.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.996 178.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.444 HD11 ' HB3' ' A' ' 8' ' ' PHE . 64.7 mt -68.44 -38.54 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.978 0.418 . . . . 0.0 110.886 -177.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -72.07 -36.49 69.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.839 -175.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -93.33 -25.74 17.6 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -170.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.414 ' HG1' ' CD ' ' A' ' 65' ' ' GLU . 0.0 OUTLIER -135.51 130.07 34.06 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.525 0.679 . . . . 0.0 110.666 179.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -99.44 -4.18 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.335 -169.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' CD ' ' HG1' ' A' ' 63' ' ' THR . 2.1 mp0 -68.04 -5.04 15.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.24 0.543 . . . . 0.0 110.814 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -92.67 -9.17 41.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.2 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m -79.83 90.16 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.203 0.525 . . . . 0.0 110.687 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -120.19 95.81 0.6 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.041 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.5 t -94.24 120.26 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.846 0.355 . . . . 0.0 110.356 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -93.59 -59.72 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -128.73 143.6 50.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.475 168.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.7 -134.05 1.78 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.939 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.552 179.071 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 120.699 0.285 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 m -70.68 -32.24 69.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.085 0.469 . . . . 0.0 110.807 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -109.97 143.88 39.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.552 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.5 t60 -123.29 126.22 46.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.871 0.367 . . . . 0.0 110.988 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -97.74 141.2 31.04 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 170.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.963 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 10.7 tp10 -146.3 143.58 29.24 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -174.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.3 t -123.35 118.2 53.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -116.63 107.03 14.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 57.31 18.62 4.44 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.217 0.607 . . . . 0.0 111.912 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.98 -16.99 22.72 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.481 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.3 141.75 24.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.914 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -91.5 116.5 28.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.597 0.237 . . . . 0.0 110.793 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.963 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.2 mt -101.26 119.42 49.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.874 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -108.47 104.77 14.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.552 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.552 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 56.7 mt -110.86 126.9 68.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.167 0.508 . . . . 0.0 111.325 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.676 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 10.3 mm-40 -114.4 124.14 51.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.845 175.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 62.96 14.97 7.97 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.308 0.575 . . . . 0.0 111.133 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.526 ' HA ' ' CG2' ' A' ' 15' ' ' ILE . 12.9 t70 66.37 5.54 3.79 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.528 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.464 ' HB ' ' HE1' ' A' ' 32' ' ' HIS . 2.7 p -125.07 -42.35 2.03 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 122.192 -0.317 . . . . 0.0 111.713 -178.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.676 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 17.3 m -64.63 114.35 4.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.767 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.99 115.54 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.027 0.442 . . . . 0.0 111.134 -172.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.98 139.11 42.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.98 170.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.5 mt -128.85 120.43 52.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 60.74 22.94 12.86 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.571 0.701 . . . . 0.0 110.492 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 -12.34 66.57 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.818 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -97.26 130.33 44.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.848 -0.207 . . . . 0.0 110.463 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -80.65 142.06 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 59' ' ' ILE . 49.5 mm -105.41 127.23 60.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.03 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.4 m -62.5 103.89 0.46 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.313 0.577 . . . . 0.0 110.338 174.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.1 175.22 5.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.516 -176.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 t -107.26 81.37 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.662 172.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.464 ' HE1' ' HB ' ' A' ' 19' ' ' THR . 0.2 OUTLIER -83.88 93.09 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.134 -179.3 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.587 ' OD2' HG23 ' A' ' 35' ' ' VAL . 27.3 t70 71.05 165.02 0.28 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.652 -178.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -105.57 22.41 15.55 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -168.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.587 HG23 ' OD2' ' A' ' 33' ' ' ASP . 77.7 t -58.12 -56.84 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.155 0.502 . . . . 0.0 110.196 173.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -100.04 -42.35 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.111 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 t30 67.58 -75.3 0.06 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.256 0.972 . . . . 0.0 109.946 -175.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? 58.8 65.98 1.14 Allowed 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.581 0.551 . . . . 0.0 111.895 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.409 ' HD1' ' HG2' ' A' ' 42' ' ' ARG . 31.2 t-105 66.9 -178.19 0.21 Allowed 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.813 0.696 . . . . 0.0 110.189 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -98.56 173.61 6.85 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -54.41 107.9 0.32 Allowed 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 120.812 0.339 . . . . 0.0 110.104 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' HG2' ' HD1' ' A' ' 39' ' ' TRP . 56.9 mtp180 -67.83 -10.56 53.98 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -169.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -79.66 -12.27 59.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.909 HD11 HG12 ' A' ' 59' ' ' ILE . 5.3 mp -120.41 88.57 42.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.026 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.24 96.9 0.15 Allowed 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.904 2.403 . . . . 0.0 112.627 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.5 p90 43.47 56.88 4.15 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.288 1.035 . . . . 0.0 113.169 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.542 ' OG1' ' HB3' ' A' ' 44' ' ' LEU . 37.0 p -105.83 165.08 11.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.202 175.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -97.51 134.64 40.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.002 0.429 . . . . 0.0 110.943 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -158.89 176.09 12.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.271 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -143.4 -49.96 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -97.97 165.55 11.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.04 -171.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.3 tt -72.97 -46.27 53.28 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -67.79 -37.36 81.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.086 0.47 . . . . 0.0 110.309 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -60.31 -42.74 96.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.152 174.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.599 ' O ' HG13 ' A' ' 59' ' ' ILE . 50.3 tp -57.6 -50.39 73.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.718 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.77 -42.98 80.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.63 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -70.95 -34.64 71.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.801 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.15 77.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.909 HG12 HD11 ' A' ' 44' ' ' LEU . 71.2 mt -61.72 -49.92 82.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.5 178.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.14 -39.57 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.615 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -63.11 -32.62 74.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.042 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -92.79 -5.64 50.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 0.0 111.634 -173.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.3 p -126.41 138.91 53.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.378 0.609 . . . . 0.0 111.367 -178.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 p -90.98 -5.72 10.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.756 0.789 . . . . 0.0 109.537 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.3 -43.52 98.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.898 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -88.76 -31.71 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.052 0.453 . . . . 0.0 110.428 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.9 m -85.95 75.87 9.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.639 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.43 139.06 15.41 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.739 -177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.5 t -91.89 128.83 43.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -79.95 -55.89 4.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.662 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -165.3 130.55 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.052 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.4 73.79 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.773 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.7 m . . . . . 0 C--O 1.245 0.831 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.896 -179.329 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.937 0.399 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.483 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 6.7 p -95.45 145.46 25.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.889 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.579 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 1.7 m170 -122.45 105.25 9.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.238 0.542 . . . . 0.0 110.5 175.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.556 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 86.4 t60 -103.75 120.7 41.48 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.442 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -119.51 128.86 54.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.806 -178.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -136.72 148.22 47.19 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.2 t -112.31 122.6 66.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.911 0.386 . . . . 0.0 110.312 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -115.88 105.29 12.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.581 177.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 51.24 27.11 3.31 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.161 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.63 -25.43 9.65 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.943 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.41 134.23 12.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.641 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -95.73 124.82 39.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.995 0.426 . . . . 0.0 111.476 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 5' ' ' THR . 74.8 mt -98.15 120.38 47.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.921 177.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.38 109.24 18.38 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.581 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.556 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 41.8 mt -109.8 127.34 66.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HG3' ' CD2' ' A' ' 3' ' ' HIS . 14.0 tt0 -125.37 132.32 52.82 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.029 0.443 . . . . 0.0 110.995 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 1.3 t70 49.0 40.96 18.21 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.097 165.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 6.0 t70 74.97 -52.65 0.67 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 173.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -95.0 -21.96 18.25 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -168.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.553 ' HB2' ' HB3' ' A' ' 16' ' ' GLU . 19.3 m -93.42 105.7 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.112 0.482 . . . . 0.0 111.635 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.576 ' HB3' ' HE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -102.98 120.69 41.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.993 176.679 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p -129.6 141.75 50.89 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.002 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.1 mt -126.07 120.33 56.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 64.19 12.61 7.23 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.332 0.587 . . . . 0.0 110.636 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.0 -35.15 4.17 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.061 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.539 ' HB2' ' HZ2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.21 147.89 25.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.009 0.404 . . . . 0.0 111.392 -175.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.8 144.41 52.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.161 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.409 ' CG1' HD11 ' A' ' 21' ' ' LEU . 36.8 mm -100.74 136.23 33.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 174.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 m -98.25 132.85 43.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.495 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.576 ' HE2' ' HB3' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -130.31 160.11 34.93 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -175.404 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 38' ' ' LYS . 3.2 p -76.81 84.62 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 122.181 0.991 . . . . 0.0 108.914 168.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.73 157.86 17.76 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.997 -172.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.407 ' CG ' ' H ' ' A' ' 34' ' ' ALA . 9.5 t70 63.92 -173.82 0.17 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.665 0.603 . . . . 0.0 110.769 175.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.407 ' H ' ' CG ' ' A' ' 33' ' ' ASP . . . -105.85 -29.35 10.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.033 0.444 . . . . 0.0 110.286 178.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -83.69 -33.82 9.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.492 0.663 . . . . 0.0 109.683 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -89.37 4.39 49.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.051 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -64.74 110.2 2.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.145 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.423 ' HD2' ' HA ' ' A' ' 38' ' ' LYS . 22.6 tptt -103.43 -164.91 1.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.422 ' CE3' ' HG3' ' A' ' 38' ' ' LYS . 48.2 p90 -73.07 -46.05 53.85 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.553 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.4 ' HB3' ' HH ' ' A' ' 49' ' ' TYR . 72.0 m -164.22 178.48 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -73.77 133.64 43.31 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.039 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -77.77 72.34 4.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.493 0.663 . . . . 0.0 111.401 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -143.4 -63.9 0.39 Allowed 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.906 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' A' ' 59' ' ' ILE . 7.2 mp -101.02 162.24 21.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.682 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 44' ' ' LEU . 40.5 Cg_endo -68.39 83.17 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.568 2.179 . . . . 0.0 112.359 177.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.461 ' C ' ' HG1' ' A' ' 47' ' ' THR . 98.7 m-85 70.89 -69.47 0.18 Allowed 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 124.225 1.01 . . . . 0.0 110.114 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.461 ' HG1' ' C ' ' A' ' 46' ' ' TYR . 1.6 p 52.9 141.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.385 1.474 . . . . 0.0 113.964 -175.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -95.49 106.17 18.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.787 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.4 ' HH ' ' HB3' ' A' ' 40' ' ' SER . 0.9 OUTLIER -136.68 143.4 43.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.223 178.767 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -126.09 -10.56 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.204 0.526 . . . . 0.0 110.746 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.423 ' HB3' ' CB ' ' A' ' 54' ' ' ASP . 41.3 t -112.03 138.5 48.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.192 176.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD21 HD22 ' A' ' 21' ' ' LEU . 10.1 tt -64.79 -40.97 96.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.925 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.65 -40.08 92.09 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.484 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.423 ' CB ' ' HB3' ' A' ' 51' ' ' SER . 38.8 t70 -64.98 -41.72 95.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.358 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.38 -50.79 71.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.268 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.98 92.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.66 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -69.56 -32.8 71.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.102 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.2 90.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.634 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.51 ' HA ' HD13 ' A' ' 44' ' ' LEU . 65.5 mt -62.64 -51.26 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.387 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.5 mt -60.28 -38.84 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.029 0.443 . . . . 0.0 111.167 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -63.56 -43.47 96.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.557 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.89 -19.03 21.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.5 p -113.35 93.93 4.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.819 0.818 . . . . 0.0 109.239 172.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.1 m -74.1 -9.44 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.542 -167.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -77.88 -1.5 32.02 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.738 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -78.42 -21.39 49.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.043 0.449 . . . . 0.0 110.36 173.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 m -81.67 96.37 7.5 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 173.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.76 -39.17 76.98 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.864 -0.607 . . . . 0.0 113.309 -174.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.4 t -95.2 98.7 8.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.918 0.389 . . . . 0.0 110.552 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -101.47 143.35 31.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.762 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -99.95 126.62 46.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.856 0.36 . . . . 0.0 110.335 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -74.34 131.4 13.32 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.623 177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.4 m . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.78 -0.628 . . . . 0.0 110.297 179.808 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.0 ttp . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.861 0.362 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.96 -40.21 13.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.305 0.574 . . . . 0.0 109.751 175.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -116.51 136.17 53.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.436 -0.802 . . . . 0.0 108.919 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.512 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 80.3 t60 -98.86 116.97 32.29 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.25 123.83 38.97 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.617 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 5.1 tp10 -147.04 136.66 22.95 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.3 p -116.74 128.04 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.231 0.539 . . . . 0.0 110.659 177.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.48 ' O ' HG21 ' A' ' 60' ' ' ILE . 47.4 t80 -129.99 110.08 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.181 -178.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.589 ' HB3' ' HE2' ' A' ' 70' ' ' LYS . 18.4 mm-40 52.88 41.53 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.105 176.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.51 -13.95 56.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.756 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.17 132.99 11.53 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.347 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 m -88.95 131.44 35.15 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 120.972 0.415 . . . . 0.0 110.949 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.617 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.2 mt -98.44 119.39 46.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -114.63 102.77 10.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.087 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.512 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 66.2 mt -113.02 119.26 60.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -106.15 129.31 54.24 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.126 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 19' ' ' THR . 35.2 t70 61.38 13.29 4.88 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 124.005 0.816 . . . . 0.0 111.922 169.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 64.77 -9.34 0.19 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.254 0.621 . . . . 0.0 111.791 -174.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 17' ' ' ASP . 13.1 m -94.59 -33.72 12.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.894 0.378 . . . . 0.0 111.369 -174.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -101.64 148.48 25.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.377 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.56 116.3 20.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.23 137.66 42.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.485 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.538 ' C ' ' H ' ' A' ' 25' ' ' GLY . 72.6 mt -114.29 114.13 45.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 71.04 -33.91 0.28 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.718 0.807 . . . . 0.0 111.269 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' A' ' 23' ' ' ILE . . . 159.15 -20.11 0.28 Allowed Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.242 -177.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 27' ' ' GLU . 10.5 tmtt? -79.19 131.37 36.18 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.458 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -76.52 134.82 39.36 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.016 0.436 . . . . 0.0 110.855 -176.536 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.5 mm -101.69 123.18 54.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.979 0.419 . . . . 0.0 111.439 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.9 p -74.2 146.72 43.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.88 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.531 ' HB3' ' CD2' ' A' ' 32' ' ' HIS . 13.6 t80 -174.03 -175.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -175.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.8 p -79.88 87.98 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 171.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.531 ' CD2' ' HB3' ' A' ' 30' ' ' TYR . 1.2 m-70 -120.54 132.9 55.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.916 -171.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 35' ' ' VAL . 29.1 t70 68.89 -0.71 2.3 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 124.024 0.828 . . . . 0.0 112.578 168.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 69.13 -14.5 0.3 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.553 0.741 . . . . 0.0 112.426 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.442 ' H ' ' C ' ' A' ' 33' ' ' ASP . 62.1 t -90.37 -37.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.636 0.255 . . . . 0.0 110.797 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.2 mptp? -67.7 -71.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.958 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 44.39 89.7 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -128.65 26.1 5.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.663 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 61.92 101.43 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.381 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.7 m 63.53 -173.1 0.16 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.432 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.95 -21.17 25.03 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.073 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 63.51 25.75 14.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.798 0.808 . . . . 0.0 110.403 -174.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -101.73 -56.4 2.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.351 -0.84 . . . . 0.0 108.967 174.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 58' ' ' ALA . 8.5 mp -104.45 158.92 30.93 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.061 172.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.467 ' C ' ' H ' ' A' ' 47' ' ' THR . 31.3 Cg_exo -59.39 -163.39 0.02 OUTLIER 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 123.342 2.695 . . . . 0.0 113.261 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -74.03 30.44 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.773 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.467 ' H ' ' C ' ' A' ' 45' ' ' PRO . 16.9 p -63.09 155.33 28.2 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.837 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -76.67 97.66 4.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.76 -173.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -137.39 137.91 39.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.327 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -147.47 3.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.199 0.523 . . . . 0.0 111.404 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 61.8 m -111.85 140.22 46.68 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.022 -0.424 . . . . 0.0 109.862 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.32 -41.37 98.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.704 0.288 . . . . 0.0 110.85 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.596 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 tm? -68.7 -40.32 80.07 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -62.65 -46.96 85.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.854 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.45 -43.41 93.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.295 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.72 93.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.114 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.596 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 63.6 mtm180 -65.93 -45.27 82.49 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.682 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.459 ' HB3' HD23 ' A' ' 44' ' ' LEU . . . -57.4 -39.51 76.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -176.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.51 -50.14 69.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.718 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.48 HG21 ' O ' ' A' ' 8' ' ' PHE . 70.0 mt -63.26 -38.36 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.362 0.601 . . . . 0.0 110.597 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -63.14 -37.62 87.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.756 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -96.06 -25.8 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.8 p -116.76 118.55 32.83 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.246 0.546 . . . . 0.0 110.818 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.5 m -80.76 -7.32 10.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.635 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.39 -31.36 72.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.41 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -84.45 3.25 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 111.111 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 t -113.59 142.69 45.67 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.2 -73.88 1.28 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.908 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.7 p -141.51 -5.27 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.16 0.505 . . . . 0.0 110.236 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.589 ' HE2' ' HB3' ' A' ' 9' ' ' GLU . 92.5 mttt 69.53 -64.05 0.36 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.823 -178.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 59.19 87.78 0.08 Allowed 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.792 0.683 . . . . 0.0 110.725 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -97.57 -167.84 32.47 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.449 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.8 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.015 176.382 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.93 0.395 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.8 p -90.38 -24.99 20.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.411 0.624 . . . . 0.0 109.74 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 31.9 p-80 -128.52 135.55 49.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.752 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.492 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 86.2 t60 -109.03 118.02 35.71 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -94.56 138.33 32.58 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.045 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.936 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 4.7 tp10 -143.54 136.76 27.9 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.8 t -115.91 116.64 52.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' ' 60' ' ' ILE . 11.2 t80 -129.1 108.25 10.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.127 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 56.64 25.47 10.04 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.854 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.04 -5.11 52.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.767 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.58 144.71 17.25 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.51 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.2 m -105.05 116.68 32.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.936 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.4 mt -97.2 119.82 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.862 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -113.24 105.36 13.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.583 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 66.2 mt -110.48 120.7 61.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.743 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 33.9 mt-10 -119.92 123.38 43.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.062 0.458 . . . . 0.0 112.224 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 17.8 t70 45.14 48.64 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.444 -1.253 . . . . 0.0 112.218 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 2.3 t70 75.14 -53.19 0.66 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 173.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 m -90.32 -31.39 16.94 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -167.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.743 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 4.2 t -79.49 104.31 10.01 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.423 HD21 HG12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -110.31 115.57 29.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.151 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.73 141.62 46.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.592 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.5 mt -129.29 116.33 39.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 65.44 8.54 5.09 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.572 0.545 . . . . 0.0 111.797 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.86 -10.93 49.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.805 -175.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -85.85 137.74 32.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.65 140.18 35.81 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.163 -178.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.0 mm -109.4 96.67 4.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.2 t -91.08 99.22 12.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.788 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.435 ' HE1' HD21 ' A' ' 55' ' ' LEU . 13.6 m-85 -81.7 147.73 29.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 172.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 t -91.22 77.19 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.74 73.02 10.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.831 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -148.57 157.92 43.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.711 -175.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.17 -11.35 8.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.022 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.1 t -78.14 -41.4 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.288 0.566 . . . . 0.0 110.671 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -84.35 -0.51 52.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.127 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 59.86 23.71 12.71 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.298 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -117.52 93.64 4.24 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.082 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -96.16 93.32 6.87 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 173.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.0 m -156.25 173.54 16.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.026 0.441 . . . . 0.0 111.018 -175.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 p -114.87 -13.58 11.97 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.505 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 74.68 -46.33 0.6 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.739 0.816 . . . . 0.0 111.602 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -60.76 -34.5 74.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.799 0.333 . . . . 0.0 111.405 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.831 HD11 HG12 ' A' ' 59' ' ' ILE . 6.6 mp -98.18 144.02 27.31 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.935 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -83.06 82.94 2.03 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.046 2.497 . . . . 0.0 112.27 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.0 p90 44.2 30.18 0.42 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.563 1.145 . . . . 0.0 113.281 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.24 165.16 19.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.878 0.37 . . . . 0.0 110.511 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -88.81 129.49 35.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.164 0.507 . . . . 0.0 111.583 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.54 ' CG ' ' HG ' ' A' ' 55' ' ' LEU . 7.8 p90 -159.04 158.48 33.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.023 175.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -136.45 -42.94 0.62 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.573 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.463 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 16.1 m -108.22 170.71 7.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.139 -170.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.4 -51.84 32.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -173.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.6 -38.24 77.2 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.073 0.464 . . . . 0.0 109.769 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.95 -41.77 88.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.609 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.632 ' O ' HG13 ' A' ' 59' ' ' ILE . 1.4 tt -69.05 -51.03 43.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.896 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.35 -43.09 83.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.931 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -69.17 -31.15 69.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.969 0.414 . . . . 0.0 110.8 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.15 -33.93 72.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.503 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.831 HG12 HD11 ' A' ' 44' ' ' LEU . 62.9 mt -61.66 -50.83 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.334 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.419 HG22 ' O ' ' A' ' 8' ' ' PHE . 70.7 mt -65.52 -39.84 86.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -177.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.405 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 28.7 ttt85 -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.452 -175.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -105.89 -24.93 12.34 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.865 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.6 p -124.65 110.34 14.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.242 0.544 . . . . 0.0 110.734 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 t -71.36 -18.71 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.131 -172.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.51 -4.45 11.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -100.71 7.26 43.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.46 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t -85.13 138.73 32.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.48 12.73 61.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.315 -0.945 . . . . 0.0 113.706 -171.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.9 p -152.9 139.03 12.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 117.202 0.501 . . . . 0.0 110.962 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -101.88 156.02 17.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.089 175.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -85.67 -11.31 54.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.431 0.634 . . . . 0.0 109.934 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 143.7 -161.08 27.77 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.214 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.6 m . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.715 -0.66 . . . . 0.0 109.8 177.397 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.6 m -108.42 -20.6 13.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.823 -173.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.456 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 13.8 p-80 -123.29 137.72 54.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.774 -178.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.52 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 57.5 t60 -106.05 120.2 41.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.286 170.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -106.06 137.71 43.52 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -149.56 136.19 19.35 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 11' ' ' GLY . 61.0 t -107.45 115.94 49.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.239 0.542 . . . . 0.0 111.346 -176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -112.21 106.35 14.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.647 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 5.2 mm-40 54.41 36.35 25.27 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.107 0.479 . . . . 0.0 111.698 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.49 -11.99 70.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.313 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 7' ' ' VAL . . . -86.17 140.16 17.4 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.406 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.4 m -102.09 117.1 34.08 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.049 0.452 . . . . 0.0 110.815 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.4 mt -96.47 119.92 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.476 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -115.89 116.73 28.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.733 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.52 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 60.2 mt -109.65 120.25 60.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 1.034 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 42.1 mt-10 -101.96 115.98 31.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.467 -178.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.456 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 27.8 t70 51.54 42.37 29.42 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.877 170.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 19.8 t70 75.17 -12.36 0.97 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 172.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.4 p -120.93 -54.6 2.02 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -173.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 1.034 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 8.4 t -65.49 117.16 7.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.736 0.303 . . . . 0.0 110.948 -172.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.642 HD12 ' HB ' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -99.43 116.37 31.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -130.94 138.66 49.84 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.693 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.0 mt -127.44 119.66 52.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 61.36 16.94 7.86 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.073 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.19 -21.69 32.84 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.468 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -89.14 129.13 35.79 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.4 140.19 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.816 0.341 . . . . 0.0 110.652 -176.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.642 ' HB ' HD12 ' A' ' 21' ' ' LEU . 47.4 mm -104.36 120.33 54.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.951 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 m -94.36 109.49 21.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.984 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -94.49 167.82 11.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.475 0.655 . . . . 0.0 111.36 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.1 t -107.28 92.08 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 114.768 -1.106 . . . . 0.0 109.263 175.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' A' ' 34' ' ' ALA . 4.7 m-70 -114.15 105.5 13.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.268 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.5 t70 73.24 -15.32 0.55 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.494 0.718 . . . . 0.0 112.361 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 32' ' ' HIS . . . -80.72 94.33 6.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.109 0.481 . . . . 0.0 110.854 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.1 t -72.5 -30.8 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.844 -176.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -76.11 -10.32 59.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.922 -176.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.417 ' HB3' ' H ' ' A' ' 38' ' ' LYS . 6.2 m-20 -82.55 -155.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.647 0.26 . . . . 0.0 110.979 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.417 ' H ' ' HB3' ' A' ' 37' ' ' ASN . 36.6 tttp -78.83 167.01 21.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.296 -0.252 . . . . 0.0 110.325 -177.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -73.89 -28.29 61.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 111.222 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.1 p -148.75 -178.08 6.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.127 0.489 . . . . 0.0 111.386 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -78.52 -0.73 30.71 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.677 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 58.15 -36.34 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 126.003 1.721 . . . . 0.0 115.241 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -67.81 -25.47 65.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.441 0.564 . . . . 0.0 111.545 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.85 153.64 37.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -66.08 -172.78 0.29 Allowed 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.154 2.569 . . . . 0.0 112.655 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -82.68 41.63 0.73 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.161 -175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.59 170.81 7.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -105.4 123.68 48.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.251 0.548 . . . . 0.0 110.313 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -134.59 120.81 20.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.619 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -106.68 -21.89 12.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.969 0.414 . . . . 0.0 110.546 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.804 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 10.5 m -79.13 126.54 30.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 21' ' ' LEU . 2.8 tm? -65.2 -44.62 87.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.036 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.97 -34.11 77.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.804 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 8.8 t0 -65.84 -41.34 91.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' O ' HG13 ' A' ' 59' ' ' ILE . 8.9 tt -59.88 -49.93 75.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.117 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.42 90.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.366 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -67.31 -39.41 85.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.967 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.49 -34.27 72.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.842 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 55' ' ' LEU . 82.8 mt -62.9 -51.04 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.49 178.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.33 -38.87 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.768 0.794 . . . . 0.0 109.659 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -58.42 -43.84 88.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.475 -1.238 . . . . 0.0 112.279 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.13 -0.41 26.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -172.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.489 ' OG1' ' HD2' ' A' ' 66' ' ' PHE . 64.2 p -120.28 126.6 50.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.126 0.488 . . . . 0.0 110.039 173.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.28 -31.0 42.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.176 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -74.92 -16.37 60.66 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -173.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.489 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 50.1 m-85 -92.39 -13.11 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.618 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 m -83.37 139.13 33.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -103.58 163.68 15.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.664 -172.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.5 t 66.63 93.52 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 123.41 0.684 . . . . 0.0 112.383 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -106.21 90.86 3.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.433 169.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 59.47 95.85 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.893 0.745 . . . . 0.0 111.161 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.15 120.67 0.64 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.146 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.95 177.929 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.484 1.266 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 m -88.52 -35.27 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.341 0.591 . . . . 0.0 109.456 175.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.466 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . 17.2 p-80 -121.78 138.23 54.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.371 175.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -108.44 123.33 48.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.437 -176.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.11 134.11 54.76 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.49 176.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -160.62 163.22 32.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.741 176.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.8 t -116.08 124.8 72.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 174.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -111.51 106.28 15.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.098 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 49.57 31.21 3.98 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 175.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.42 -20.97 20.27 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.72 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.55 136.17 13.06 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.822 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -88.49 130.87 35.11 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.473 0.177 . . . . 0.0 110.871 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -102.78 119.12 50.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.871 0.367 . . . . 0.0 110.219 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -120.26 102.4 8.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.299 175.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.472 HG12 HD21 ' A' ' 21' ' ' LEU . 63.9 mt -119.77 122.92 69.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.769 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 27.3 mt-10 -121.79 117.38 26.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.22 0.533 . . . . 0.0 112.126 178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 t0 48.84 40.89 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.481 -1.236 . . . . 0.0 112.625 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t70 74.04 -35.71 0.31 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.861 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.2 p -79.56 -49.31 12.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.769 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 19.1 t -73.78 96.25 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.465 -177.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.976 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -105.79 113.12 26.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 173.378 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.87 124.5 22.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 178.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.8 mt -106.33 107.7 23.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 58.01 20.53 6.91 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.046 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.25 -19.8 13.02 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.762 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -88.15 122.85 32.19 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.444 -0.445 . . . . 0.0 110.574 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 12.4 pt-20 -80.48 120.4 24.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.412 0.625 . . . . 0.0 109.675 175.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.2 mm -90.47 116.88 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.738 -175.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 p -74.79 111.89 10.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.256 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.976 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 78.2 m-85 -112.72 166.83 11.0 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.804 174.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -112.21 106.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 169.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -72.85 98.82 2.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.66 -173.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 69.12 135.86 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 124.475 1.109 . . . . 0.0 110.602 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 38' ' ' LYS . . . -148.96 127.89 12.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.522 -174.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -116.83 -67.7 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.282 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -94.63 -41.22 9.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.193 0.52 . . . . 0.0 110.241 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -101.63 112.2 24.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.691 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.499 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -139.95 93.02 2.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.238 0.542 . . . . 0.0 111.906 -176.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -86.65 -25.74 24.7 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 171.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m 60.07 -164.5 0.22 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.276 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -65.1 112.79 3.53 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 120.926 0.394 . . . . 0.0 110.862 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 -68.56 -36.24 78.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.26 -177.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.56 -25.56 61.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.955 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 59' ' ' ILE . 34.7 tp -152.75 87.19 4.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 0.0 109.912 -179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -76.17 119.6 5.38 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.185 2.59 . . . . 0.0 113.62 -171.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 57.59 64.53 1.55 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.491 170.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.423 ' HG1' ' HG ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -83.78 172.8 11.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.021 176.23 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -90.33 86.58 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.498 ' CD1' HD12 ' A' ' 55' ' ' LEU . 50.3 p90 -131.9 171.15 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.068 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -115.7 -45.35 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.84 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.7 p -118.37 168.19 10.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.792 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.7 tp -70.2 -33.06 71.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.119 0.485 . . . . 0.0 110.065 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -42.26 87.35 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.26 -37.66 88.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.292 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.498 HD12 ' CD1' ' A' ' 49' ' ' TYR . 57.4 tp -62.64 -44.72 95.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.973 177.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.76 -44.11 81.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.98 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.82 -34.21 71.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.837 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.64 74.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.884 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.492 ' HA ' HD22 ' A' ' 44' ' ' LEU . 64.5 mt -64.56 -49.93 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.933 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.88 -40.32 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.388 0.614 . . . . 0.0 110.159 178.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -59.06 -36.08 74.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.763 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.11 -25.35 17.19 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -173.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.1 p -82.3 137.33 34.84 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.518 0.675 . . . . 0.0 111.629 -175.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.7 m -97.54 -24.35 4.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.449 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -75.21 -33.77 61.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.962 0.41 . . . . 0.0 111.168 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -74.75 -25.76 59.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 109.879 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.5 m -95.3 34.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.3 176.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -106.03 9.07 42.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.651 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.0 108.61 22.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.875 0.369 . . . . 0.0 110.446 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -86.95 -51.7 5.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.141 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -120.31 144.03 48.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.14 -61.44 0.5 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.441 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.448 -0.787 . . . . 0.0 110.346 179.719 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HE3' ' CE1' ' A' ' 3' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 m -149.15 112.03 4.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.219 -176.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.596 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 4.7 p-80 -120.99 135.83 55.12 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.458 0.647 . . . . 0.0 111.815 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -98.56 120.84 39.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.301 175.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.689 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 11.1 m -131.16 139.55 49.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.202 0.525 . . . . 0.0 110.687 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -159.78 142.47 13.71 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.985 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.6 t -96.36 116.36 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.007 0.432 . . . . 0.0 110.064 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.406 ' HE2' ' HB2' ' A' ' 61' ' ' ARG . 40.7 t80 -109.76 106.34 15.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.456 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 54.47 18.92 2.12 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.46 -17.44 14.05 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.667 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.51 133.22 11.41 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.579 ' H ' ' HB2' ' A' ' 24' ' ' ASN . 19.6 m -96.09 125.24 40.49 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.646 0.26 . . . . 0.0 111.139 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.689 ' O ' ' HA ' ' A' ' 5' ' ' THR . 69.7 mt -97.9 119.81 46.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -126.29 113.58 17.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.596 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 61.7 mt -119.6 119.22 59.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -114.14 128.22 56.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.138 0.494 . . . . 0.0 111.867 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 t0 61.4 29.58 18.57 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.412 171.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.4 t70 66.38 17.87 10.76 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.921 0.867 . . . . 0.0 110.292 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 p -140.23 -166.24 2.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.962 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 m 53.14 82.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.435 0.46 . . . . 0.0 111.75 172.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.913 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -89.73 114.77 26.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.696 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -135.27 129.38 33.49 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.612 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.432 ' HA ' ' O ' ' A' ' 12' ' ' THR . 67.3 mt -118.77 106.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.579 ' HB2' ' H ' ' A' ' 12' ' ' THR . 61.5 t30 50.56 50.98 17.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.164 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.38 -9.75 66.33 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.714 -0.675 . . . . 0.0 113.174 177.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -96.88 141.42 30.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.652 -0.322 . . . . 0.0 110.245 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.38 130.07 39.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.272 0.558 . . . . 0.0 110.461 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.723 ' HB ' HD11 ' A' ' 21' ' ' LEU . 29.6 mm -116.21 104.69 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.541 -176.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 m -75.97 -26.26 56.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.275 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.913 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 95.2 m-85 59.37 -163.19 0.23 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -170.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.63 73.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 122.383 1.087 . . . . 0.0 108.841 169.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -96.21 72.67 2.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.282 -173.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -175.03 -25.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.93 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.11 107.2 4.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.2 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.4 t -85.92 -30.0 6.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.245 0.545 . . . . 0.0 109.863 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -79.03 -49.28 12.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.273 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -88.17 77.54 8.28 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -92.66 130.79 38.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.784 -171.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -114.16 -4.81 13.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.507 -0.769 . . . . 0.0 108.938 172.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 56.0 m 67.72 -176.16 0.2 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.192 -172.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.4 m -60.93 139.53 57.99 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -58.19 -27.88 64.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 111.731 -178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.426 ' C ' HD12 ' A' ' 44' ' ' LEU . 93.4 m-85 -74.67 -33.62 62.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.025 0.44 . . . . 0.0 110.488 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.662 ' HB3' HG23 ' A' ' 47' ' ' THR . 8.9 mp -128.98 83.34 66.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.176 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.51 139.1 30.84 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.434 2.09 . . . . 0.0 113.034 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 61.44 22.86 13.21 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.302 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.662 HG23 ' HB3' ' A' ' 44' ' ' LEU . 6.6 p -76.89 150.59 36.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.906 0.384 . . . . 0.0 111.445 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -99.87 127.11 46.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.788 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -150.74 172.53 15.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.242 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -125.14 -46.76 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.212 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.5 t -111.47 164.29 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -176.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.96 -40.56 65.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.849 0.357 . . . . 0.0 110.526 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.38 -39.8 89.31 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.73 -42.8 93.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.529 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 59' ' ' ILE . 1.3 tt -59.37 -46.64 88.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.268 178.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.08 82.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -66.86 -38.54 86.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.49 75.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 55' ' ' LEU . 84.5 mt -62.23 -48.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.584 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.3 mt -69.39 -40.66 80.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.217 0.532 . . . . 0.0 110.964 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 50.0 ttt180 -62.99 -38.04 89.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.94 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.655 ' HB3' HD21 ' A' ' 44' ' ' LEU . 17.8 t70 -89.99 -1.76 58.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.671 -172.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.1 p -116.04 -174.71 2.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.866 0.365 . . . . 0.0 111.145 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.5 t -129.81 -50.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.344 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -85.78 18.19 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -173.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.57 -3.26 58.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.025 0.44 . . . . 0.0 110.599 174.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.3 t -75.02 155.16 37.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.608 174.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.404 ' HA2' HD22 ' A' ' 24' ' ' ASN . . . -83.45 -103.62 0.53 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.737 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.39 125.23 60.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.076 0.465 . . . . 0.0 110.917 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.647 ' HG3' ' H ' ' A' ' 72' ' ' GLY . 54.6 tptt -157.93 138.68 13.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.697 175.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.49 -23.56 40.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.728 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.647 ' H ' ' HG3' ' A' ' 70' ' ' LYS . . . 174.52 -102.3 0.17 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.3 -0.857 . . . . 0.0 109.702 176.13 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.3 m 53.33 36.63 23.34 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 122.181 0.991 . . . . 0.0 109.563 -173.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.543 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 1.4 p80 -99.52 143.63 29.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.912 -172.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -113.8 118.2 33.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.51 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.28 128.45 55.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.834 177.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -155.99 145.14 20.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.58 -172.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.9 t -113.48 125.21 70.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.861 0.362 . . . . 0.0 110.035 176.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.424 ' O ' HG22 ' A' ' 60' ' ' ILE . 42.8 t80 -125.87 107.39 10.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.111 -177.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 56.7 29.31 15.6 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.719 0.408 . . . . 0.0 111.774 176.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.01 -10.06 58.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.686 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.406 ' HA3' HD13 ' A' ' 60' ' ' ILE . . . -90.74 145.29 17.82 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.085 -0.579 . . . . 0.0 111.769 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -106.51 123.16 47.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.436 HD12 ' HB1' ' A' ' 56' ' ' ALA . 37.4 mm -97.84 120.21 46.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -120.04 101.94 8.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.382 176.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 64.1 mt -113.63 120.54 63.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 10.1 tt0 -120.26 133.87 55.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.576 0.227 . . . . 0.0 110.678 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 59.89 14.23 4.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.271 171.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 57.01 18.5 4.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 122.894 0.478 . . . . 0.0 111.577 -174.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.6 p -126.46 -42.26 1.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.251 0.548 . . . . 0.0 110.667 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 16' ' ' GLU . 51.1 m -85.61 103.9 14.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.386 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.81 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -101.18 115.55 30.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 177.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.7 132.0 36.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.8 mt -116.97 114.72 46.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m120 62.24 24.38 14.51 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.338 0.589 . . . . 0.0 110.694 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.76 -6.4 77.02 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.416 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -94.12 122.95 37.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -70.39 128.97 38.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.092 0.472 . . . . 0.0 111.086 -177.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.787 ' HB ' HD12 ' A' ' 21' ' ' LEU . 47.5 mm -107.84 98.66 7.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.044 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 m -82.99 108.83 16.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.728 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.81 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 84.0 m-85 -83.49 164.92 19.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 31' ' ' VAL . 7.4 p -95.08 81.01 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 122.194 0.997 . . . . 0.0 110.677 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -92.33 88.01 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.078 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.478 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 25.3 t70 -147.66 149.15 31.93 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.275 -177.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.47 -34.32 54.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.738 -176.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.26 -46.88 15.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.056 0.455 . . . . 0.0 110.612 -176.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 33' ' ' ASP . 61.1 mttp -65.2 -42.71 93.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.983 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.5 t30 66.7 166.62 0.22 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.04 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' A' ' 38' ' ' LYS . 45.1 mtmt -84.87 104.27 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.411 -176.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -104.33 -37.45 7.23 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.7 m -164.31 -167.13 1.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 p -83.88 -85.34 0.13 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.022 172.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -165.04 -57.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.258 177.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.43 ' O ' ' HD3' ' A' ' 45' ' ' PRO . 13.2 m-85 -76.05 -27.17 57.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.911 -175.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -115.0 86.93 14.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.704 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.43 ' HD3' ' O ' ' A' ' 43' ' ' TYR . 2.8 Cg_exo -75.89 136.76 19.02 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.918 2.412 . . . . 0.0 112.59 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 62.9 66.57 0.74 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.579 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.17 154.27 51.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.891 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -96.17 98.37 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 111.053 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.1 172.11 17.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.52 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -163.52 -35.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.805 0.336 . . . . 0.0 111.881 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.522 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 15.1 m -87.59 155.39 19.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.495 -174.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -64.96 -50.89 64.62 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.544 0.211 . . . . 0.0 111.363 -171.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.34 -38.44 84.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.335 0.588 . . . . 0.0 109.669 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 5.5 t70 -58.64 -41.48 86.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.76 175.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 51' ' ' SER . 63.6 mt -61.23 -52.67 63.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.253 177.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.436 ' HB1' HD12 ' A' ' 13' ' ' ILE . . . -62.68 -45.15 94.11 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.768 -175.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.62 -37.26 76.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.76 84.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.645 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 55' ' ' LEU . 88.7 mt -62.92 -49.78 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.027 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 8' ' ' PHE . 68.2 mt -66.04 -39.93 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.196 0.522 . . . . 0.0 110.586 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -58.88 -36.38 74.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.501 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.0 9.48 38.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 p -125.49 157.94 35.72 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.275 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.4 m -107.27 -17.58 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.455 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.59 -24.81 61.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.66 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -99.5 15.01 27.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.848 0.356 . . . . 0.0 111.133 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 t -87.54 162.53 17.16 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.68 171.22 15.04 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.085 -1.055 . . . . 0.0 113.161 -174.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.2 p -83.59 -0.29 5.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.45 0.643 . . . . 0.0 110.228 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -82.96 92.85 7.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.547 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -78.9 127.73 32.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.738 -176.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.19 160.48 27.45 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.92 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.455 -0.783 . . . . 0.0 109.693 176.718 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 120.806 0.336 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.4 m -126.07 112.62 16.08 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.389 175.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -86.92 132.31 33.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.818 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -107.17 120.6 42.54 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.825 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -94.89 139.42 31.35 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 171.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 1.008 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 14.9 tp10 -143.78 136.5 27.24 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.2 t -122.96 116.51 48.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 60' ' ' ILE . 38.5 t80 -127.46 113.96 16.86 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.973 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 59.0 24.07 12.26 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.512 0.508 . . . . 0.0 111.371 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.76 -3.48 60.86 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.915 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.23 137.0 13.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.271 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 m -93.46 121.23 34.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 1.008 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 80.6 mt -98.3 120.22 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.324 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.25 115.39 30.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.019 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.3 mt -110.11 120.53 61.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.811 0.338 . . . . 0.0 110.493 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 26.1 mt-10 -125.43 134.7 52.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.697 -177.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 4.3 t70 51.11 27.73 3.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.066 171.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 22.6 t70 74.12 -49.66 0.68 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.464 0.705 . . . . 0.0 112.454 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 m -89.62 -24.12 21.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -173.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.495 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 20.5 t -78.24 102.57 7.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.907 0.384 . . . . 0.0 110.372 -177.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.449 HD13 ' HB ' ' A' ' 28' ' ' ILE . 0.4 OUTLIER -98.8 118.07 34.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.261 178.837 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.4 140.86 45.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.868 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.5 mt -131.18 120.74 47.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 66.46 11.02 7.77 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.469 0.652 . . . . 0.0 110.409 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.8 -5.84 60.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.783 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -89.99 126.86 35.9 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -76.53 131.52 39.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.364 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.449 ' HB ' HD13 ' A' ' 21' ' ' LEU . 51.0 mm -108.75 102.8 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.924 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.5 m -89.07 116.59 27.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.338 173.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -100.31 163.16 12.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.451 0.643 . . . . 0.0 111.941 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.9 t -112.65 97.65 6.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.695 -1.138 . . . . 0.0 108.693 175.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -116.48 110.36 18.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.011 0.434 . . . . 0.0 111.585 -176.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -85.59 -25.62 26.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.656 174.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 69.4 -60.52 0.46 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.213 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.9 t -77.14 -60.33 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -173.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.94 -6.18 54.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -172.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.0 m120 61.08 86.93 0.1 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.559 0.537 . . . . 0.0 112.275 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -85.74 -171.31 3.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.203 174.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 48.3 p90 -65.23 158.09 27.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.012 0.434 . . . . 0.0 111.622 -176.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -71.86 172.35 10.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.896 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -54.08 144.62 18.98 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.959 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -64.55 -16.5 62.72 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -85.81 -4.36 59.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.992 0.425 . . . . 0.0 110.141 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.75 ' HG ' ' HB ' ' A' ' 47' ' ' THR . 15.7 tp -125.25 86.15 57.33 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.582 -175.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -65.55 101.37 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.505 2.803 . . . . 0.0 113.696 -171.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 71.09 -4.06 1.88 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.918 173.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.75 ' HB ' ' HG ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -69.63 164.22 23.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.145 0.498 . . . . 0.0 110.825 -178.386 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -128.35 151.32 49.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.304 -178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -143.92 165.66 27.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.821 0.343 . . . . 0.0 110.613 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -83.17 -53.86 5.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.824 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 p -156.09 -166.28 2.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.09 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.86 -46.51 89.12 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -171.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.09 -47.48 79.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.1 0.476 . . . . 0.0 110.047 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.57 -33.96 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.664 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.19 -51.72 68.21 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.943 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.61 93.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.04 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -66.93 -38.84 86.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.699 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.03 88.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.3 mt -62.91 -49.33 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 8' ' ' PHE . 71.2 mt -61.44 -39.72 83.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.812 0.339 . . . . 0.0 111.17 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.43 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 33.8 ttp180 -68.64 -43.53 76.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.778 0.323 . . . . 0.0 111.361 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -25.72 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.064 0.459 . . . . 0.0 111.423 -173.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.7 p -124.25 94.49 4.23 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.617 0.722 . . . . 0.0 109.754 173.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.2 m -73.84 -1.49 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.791 -170.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -74.41 1.33 11.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.203 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -94.96 -2.84 49.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.249 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.9 m -74.38 99.36 3.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.296 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -93.89 -46.76 3.06 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.401 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.0 t -102.85 101.24 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.78 0.324 . . . . 0.0 110.556 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 70' ' ' LYS . 33.8 tttp -135.61 26.14 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.055 0.455 . . . . 0.0 110.79 -176.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 63.91 -159.84 0.3 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.976 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -128.1 34.5 2.94 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 174.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.499 -0.763 . . . . 0.0 110.596 -175.017 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.1 mmm . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.541 0.21 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.5 m -74.82 -45.36 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.082 0.468 . . . . 0.0 111.183 -175.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.419 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 2.0 p80 -102.09 143.09 32.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.587 -178.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.543 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.9 t60 -110.74 116.56 31.51 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -102.87 135.64 44.17 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -159.54 140.36 12.43 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.487 -174.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.3 t -117.0 114.75 46.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -110.55 107.67 17.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.037 -177.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 58.53 10.73 1.47 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.28 0.632 . . . . 0.0 112.524 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.28 -13.55 8.93 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.712 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.12 146.98 19.37 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.969 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -101.28 116.63 33.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.745 0.307 . . . . 0.0 110.77 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.5 mt -99.08 120.19 48.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -116.63 102.4 9.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.04 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.543 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 64.5 mt -113.18 123.22 68.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 121.182 -0.207 . . . . 0.0 110.607 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 20' ' ' SER . 2.3 tm-20 -118.41 131.07 56.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.457 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 36.0 t70 57.46 24.45 10.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.623 172.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 5.6 t70 74.64 -48.37 0.65 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.354 0.661 . . . . 0.0 112.46 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.4 m -94.98 -14.63 24.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -171.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 16' ' ' GLU . 36.8 m -92.3 97.86 11.14 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.8 tp -108.02 123.97 49.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.284 0.564 . . . . 0.0 112.05 -172.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.03 142.11 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.509 176.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.526 HD12 HG13 ' A' ' 28' ' ' ILE . 63.3 mt -125.2 117.28 49.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 m120 59.33 26.56 15.44 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.894 -177.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.49 -8.12 77.27 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.775 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -94.56 127.45 40.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.86 111.98 4.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.549 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.526 HG13 HD12 ' A' ' 23' ' ' ILE . 49.3 mm -100.68 99.53 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.227 0.537 . . . . 0.0 109.927 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -95.46 124.02 39.28 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.177 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -88.19 154.22 20.61 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 172.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.6 t -93.35 98.79 8.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 174.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.81 19.83 16.46 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.863 -173.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' CG ' ' HD3' ' A' ' 36' ' ' LYS . 9.5 t70 -128.05 143.31 51.07 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.738 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.36 -13.45 19.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.775 0.321 . . . . 0.0 111.605 -175.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -83.6 -31.1 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.242 0.544 . . . . 0.0 109.892 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' HD3' ' CG ' ' A' ' 33' ' ' ASP . 13.1 mptt -77.1 -13.36 59.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.03 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.1 m120 71.96 166.19 0.3 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.573 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt 61.21 75.63 0.4 Allowed 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.698 -178.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -73.33 162.83 28.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.869 -175.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.479 ' HB2' ' HA ' ' A' ' 45' ' ' PRO . 21.0 m 75.65 -168.76 0.08 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.663 0.785 . . . . 0.0 110.923 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.2 p -78.81 151.4 31.96 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -85.39 22.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.615 0.722 . . . . 0.0 110.306 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.08 -51.54 2.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 172.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 59' ' ' ILE . 8.1 mp -124.43 86.44 55.04 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.528 172.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.487 ' HB2' ' HD1' ' A' ' 46' ' ' TYR . 72.4 Cg_endo -89.06 133.29 2.4 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.785 2.323 . . . . 0.0 112.767 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.487 ' HD1' ' HB2' ' A' ' 45' ' ' PRO . 59.3 m-85 68.7 12.4 8.66 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.505 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.01 170.31 16.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.341 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -94.78 108.42 20.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.29 0.567 . . . . 0.0 111.438 -175.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.425 ' CD2' ' HG ' ' A' ' 55' ' ' LEU . 17.8 p90 -131.31 143.81 50.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.877 174.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -91.58 -36.48 13.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.128 0.49 . . . . 0.0 111.391 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.0 t -137.77 167.0 22.61 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.288 -176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.98 -42.17 99.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.807 0.337 . . . . 0.0 110.76 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.415 HD23 HD12 ' A' ' 15' ' ' ILE . 3.1 tm? -67.66 -35.22 78.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.225 0.536 . . . . 0.0 109.639 178.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -64.33 -36.08 82.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.101 177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 49' ' ' TYR . 1.7 tt -63.9 -47.23 81.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.998 176.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.16 80.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.002 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -66.02 -39.55 90.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.561 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.85 -38.18 81.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.895 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.433 ' HA ' HD13 ' A' ' 44' ' ' LEU . 79.3 mt -62.61 -49.19 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.63 -39.81 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.203 0.525 . . . . 0.0 110.523 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -62.11 -32.31 72.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.517 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -95.15 -6.51 41.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.7 -173.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.4 p -116.32 175.87 5.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.114 0.483 . . . . 0.0 111.596 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.2 t -121.12 -32.72 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.222 176.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.22 -25.73 67.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.478 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -80.08 73.65 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.549 0.69 . . . . 0.0 110.036 175.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.1 t -170.31 111.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.791 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.94 -83.5 1.72 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.295 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.4 t -96.42 86.63 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.311 0.577 . . . . 0.0 109.565 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -112.54 110.11 20.09 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.896 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -122.41 179.72 4.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.436 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.43 176.16 38.79 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.846 -0.693 . . . . 0.0 111.849 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.362 -0.828 . . . . 0.0 109.213 179.508 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 120.701 0.286 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.505 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 39.9 p -96.02 -8.67 32.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.279 0.561 . . . . 0.0 110.375 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -88.71 111.37 21.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.486 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.588 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 78.3 t60 -96.31 120.41 36.55 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -125.01 142.02 51.76 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.62 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.55 153.1 22.61 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.979 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.37 114.35 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.865 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.48 ' HB3' HD13 ' A' ' 60' ' ' ILE . 31.8 t80 -109.82 107.54 17.55 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 53.89 28.69 8.78 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.09 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.62 -1.2 61.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.659 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.78 141.88 15.84 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.637 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -90.31 119.77 30.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.788 0.328 . . . . 0.0 110.994 -177.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.7 mm -98.0 119.84 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.905 176.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.86 107.53 14.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.367 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.588 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 68.1 mt -116.31 119.95 63.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -110.77 144.2 40.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.404 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.505 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 25.3 t70 57.95 29.03 17.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.192 171.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 t70 70.65 -6.86 1.14 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.365 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -132.11 -42.08 0.99 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -170.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 50.9 m -67.01 122.72 18.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.859 0.362 . . . . 0.0 111.354 -176.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.466 HD23 HG12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -107.33 116.92 32.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.735 -175.097 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -135.6 138.52 43.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 175.64 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 56' ' ' ALA . 61.5 mt -135.57 128.34 47.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 65.52 14.31 9.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.581 0.705 . . . . 0.0 110.972 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.04 5.09 68.28 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.924 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -110.4 134.76 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HA ' HG21 ' A' ' 22' ' ' THR . 35.9 tt0 -74.91 142.28 44.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.015 0.436 . . . . 0.0 110.85 -177.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 42.4 mm -107.98 98.56 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.477 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.4 m -76.04 112.19 12.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.378 0.609 . . . . 0.0 111.94 -176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -96.02 -171.64 2.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.976 171.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 33' ' ' ASP . 6.3 p -105.36 97.45 5.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-O 121.731 0.777 . . . . 0.0 109.372 173.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -76.56 101.65 5.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.784 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' O ' HG22 ' A' ' 31' ' ' VAL . 6.2 t70 63.13 -169.71 0.19 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.428 -174.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 53.46 56.24 7.6 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.381 0.61 . . . . 0.0 110.362 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.97 -21.53 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.067 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -56.97 -19.92 20.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.775 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -82.26 59.36 4.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 110.073 176.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.703 ' HZ2' ' HB3' ' A' ' 38' ' ' LYS . 6.0 ttpm? -81.72 85.19 6.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.059 -176.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -129.8 19.86 5.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.638 177.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.4 m 66.82 178.43 0.22 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.068 -172.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.429 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 1.4 m -68.17 -74.15 0.13 Allowed 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 174.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 41' ' ' SER . 15.7 ttm180 173.48 -58.07 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.759 171.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -55.06 -42.6 72.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.896 -173.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.494 ' HB3' HG21 ' A' ' 47' ' ' THR . 8.6 mp -123.62 87.19 52.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.693 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.02 158.68 23.9 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.531 2.154 . . . . 0.0 112.047 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 58.04 38.41 26.67 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 111.457 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.494 HG21 ' HB3' ' A' ' 44' ' ' LEU . 7.2 p -113.65 170.75 8.02 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -125.94 110.45 13.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.131 0.491 . . . . 0.0 111.199 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.52 ' CE2' HD22 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -161.95 171.55 17.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.757 178.541 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -146.69 -1.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 111.246 177.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.2 t -114.75 146.51 40.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.622 0.249 . . . . 0.0 110.882 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.47 -37.74 77.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.424 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.43 -45.85 85.74 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.25 -47.25 86.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.186 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.52 HD22 ' CE2' ' A' ' 49' ' ' TYR . 2.6 tm? -61.89 -48.23 81.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.714 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HA ' HD12 ' A' ' 23' ' ' ILE . . . -56.44 -46.25 80.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.194 0.521 . . . . 0.0 111.089 -178.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -72.0 -32.53 67.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.164 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.47 80.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.583 0.23 . . . . 0.0 111.165 178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 55' ' ' LEU . 56.9 mt -63.41 -50.22 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.558 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.48 HD13 ' HB3' ' A' ' 8' ' ' PHE . 62.6 mt -64.56 -37.69 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.429 0.633 . . . . 0.0 109.89 178.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -58.66 -35.53 72.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.77 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -101.59 -26.33 13.57 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.8 p -126.28 121.16 31.84 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.17 0.509 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 m -82.13 -11.77 12.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.11 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -70.65 -2.1 13.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -98.11 3.3 49.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.139 0.495 . . . . 0.0 110.599 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 t -86.03 154.93 21.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 172.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.48 -102.8 0.06 OUTLIER Glycine 0 C--N 1.329 0.19 0 C-N-CA 121.057 -0.592 . . . . 0.0 113.074 -176.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -78.4 103.78 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.839 0.352 . . . . 0.0 110.15 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -118.01 100.11 7.34 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -173.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.68 -29.58 16.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 167.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.35 -176.05 53.66 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.352 -0.84 . . . . 0.0 113.023 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.251 1.182 0 C-N-CA 122.978 0.511 . . . . 0.0 111.36 176.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.848 0.356 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.9 m -79.62 117.24 20.37 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -110.11 134.24 52.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.922 0.392 . . . . 0.0 110.357 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.53 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.4 t60 -118.81 117.36 28.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -110.74 125.05 53.1 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.291 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -142.8 141.22 31.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.519 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.2 t -106.19 124.94 61.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.002 0.429 . . . . 0.0 110.723 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -121.47 108.38 13.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.782 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 58.34 23.71 10.81 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.143 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.9 -20.59 28.83 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.345 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.26 136.62 14.32 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.958 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.1 m -89.27 127.94 35.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.897 0.38 . . . . 0.0 110.993 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 HG22 HG13 ' A' ' 15' ' ' ILE . 67.0 mt -98.62 119.08 46.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.597 174.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.0 103.83 13.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.065 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.53 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 61.6 mt -114.03 120.78 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.842 0.353 . . . . 0.0 110.476 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.874 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 31.2 mt-10 -122.18 123.55 41.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.759 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 65.77 14.19 9.4 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.335 0.588 . . . . 0.0 111.464 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 66.31 6.36 4.22 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.383 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -118.69 -37.22 3.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 0.0 111.27 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.874 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 30.9 t -80.47 116.49 20.55 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.621 ' HG ' ' OH ' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -120.68 116.6 25.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.119 0.485 . . . . 0.0 110.007 -179.27 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.66 131.74 36.11 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.902 177.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' A' ' 25' ' ' GLY . 64.7 mt -116.41 121.24 67.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 71.9 -12.94 0.62 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.43 0.692 . . . . 0.0 110.789 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.444 ' H ' ' C ' ' A' ' 23' ' ' ILE . . . 120.73 4.33 10.63 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -174.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -106.85 132.98 52.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.31 135.21 50.11 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.828 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.406 HG13 HG13 ' A' ' 23' ' ' ILE . 40.3 mm -111.16 114.05 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.652 -178.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 t -113.1 150.7 31.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.975 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.621 ' OH ' ' HG ' ' A' ' 21' ' ' LEU . 8.0 m-85 -126.02 160.43 30.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 p -93.04 85.12 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 165.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.05 21.25 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.108 -163.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -132.89 126.8 32.97 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.11 147.5 25.89 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.984 -175.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.4 t -110.6 -37.14 2.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.331 176.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -88.82 9.65 23.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.684 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.2 m120 64.4 -163.54 0.26 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.676 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.834 ' HA ' ' HB3' ' A' ' 48' ' ' GLN . 98.1 mttt 59.2 50.44 7.96 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.156 0.503 . . . . 0.0 111.284 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -82.5 153.11 25.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.665 176.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 45' ' ' PRO . 69.1 m -152.27 -178.33 6.74 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.106 0.479 . . . . 0.0 111.202 -176.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.516 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 5.9 p -83.65 -77.29 0.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.156 177.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? 175.14 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.953 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -86.68 -27.62 23.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.394 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mp -128.14 76.65 77.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.148 174.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.464 ' HA ' ' CB ' ' A' ' 40' ' ' SER . 65.5 Cg_endo -95.41 78.06 0.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 123.032 2.488 . . . . 0.0 112.73 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -149.77 -63.01 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.665 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.1 p -92.69 143.58 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.777 -177.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.834 ' HB3' ' HA ' ' A' ' 38' ' ' LYS . 9.3 pt20 -90.15 111.22 22.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.608 0.718 . . . . 0.0 110.151 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.515 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -112.24 147.58 35.93 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.189 -179.443 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -119.29 -31.51 4.64 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -174.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.568 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 22.4 m -76.73 129.85 36.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.04 -178.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.68 -41.47 97.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.865 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.643 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 4.3 mm? -69.24 -41.45 76.96 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.281 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.568 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 38.4 t70 -58.23 -43.92 88.01 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.495 0.664 . . . . 0.0 109.996 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' HG ' ' CD1' ' A' ' 49' ' ' TYR . 1.4 tt -64.14 -49.62 71.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.454 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -46.81 87.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.313 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.643 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 10.1 mtm180 -61.91 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.18 92.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -178.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.6 -48.27 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.988 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.86 -39.54 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 110.755 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -69.12 -31.79 70.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.099 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -86.23 -25.58 25.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.997 0.427 . . . . 0.0 112.11 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.2 p -109.44 170.58 7.97 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.364 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.87 -23.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.01 -50.32 72.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.413 ' HB3' HG23 ' A' ' 23' ' ' ILE . 97.8 m-85 -74.35 -17.89 60.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.367 -175.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -74.25 -46.89 38.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.011 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.35 63.97 4.27 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.13 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 p -70.95 94.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.804 0.811 . . . . 0.0 110.889 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -72.65 -42.76 64.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.398 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -60.59 -60.84 3.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.83 -175.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.93 147.28 5.62 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.551 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.6 m . . . . . 0 C--O 1.253 1.256 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.811 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.452 ' HB3' ' H ' ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.452 ' H ' ' HB3' ' A' ' 1' ' ' MET . 95.6 m -70.35 -28.21 64.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.93 0.395 . . . . 0.0 110.419 178.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.593 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 35.3 m80 -96.6 128.3 43.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.604 176.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.406 ' HB3' HD13 ' A' ' 15' ' ' ILE . 40.2 t60 -98.75 117.65 33.71 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 172.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.18 123.16 37.39 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.207 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' CD ' HH21 ' A' ' 57' ' ' ARG . 31.6 tt0 -160.16 142.04 12.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.49 -176.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.3 t -122.29 117.3 51.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 173.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.407 ' O ' HG22 ' A' ' 60' ' ' ILE . 41.1 t80 -110.84 107.71 17.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.529 -175.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 51.36 30.61 6.24 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 174.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 67' ' ' SER . . . 119.83 -33.53 4.56 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.875 178.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.66 139.48 14.76 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.812 -174.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -89.2 128.89 35.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.701 0.286 . . . . 0.0 110.75 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.8 mt -103.02 120.66 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.973 0.416 . . . . 0.0 110.376 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.29 123.57 49.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.391 176.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 62.3 mt -124.36 126.43 71.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.137 -175.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 1.114 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 20.3 mm-40 -108.95 105.55 15.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.53 173.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 11.2 t70 60.57 18.67 8.57 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.543 0.527 . . . . 0.0 111.335 171.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 17' ' ' ASP . 1.2 m-20 74.14 -42.07 0.5 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.888 0.875 . . . . 0.0 112.482 -177.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.29 -15.44 60.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -176.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 1.114 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 7.9 t -114.91 95.63 5.31 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.562 ' HB3' ' HE1' ' A' ' 30' ' ' TYR . 63.3 tp -98.96 122.05 41.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.007 0.432 . . . . 0.0 111.083 -177.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 p -129.31 121.93 28.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.755 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.1 mt -103.96 112.03 35.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 54.24 30.44 12.36 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.881 -176.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.99 -23.66 32.97 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.699 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -79.02 121.98 25.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.831 0.348 . . . . 0.0 110.513 -177.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.55 129.77 34.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.092 0.472 . . . . 0.0 110.042 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 mm -101.43 147.46 8.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.868 -172.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 41' ' ' SER . 24.3 t -94.48 158.62 15.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.562 ' HE1' ' HB3' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -135.26 149.43 49.83 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.562 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' A' ' 40' ' ' SER . 3.9 p -101.01 101.4 12.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.827 0.822 . . . . 0.0 110.447 176.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -110.52 34.62 3.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.561 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -125.5 135.23 52.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.531 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -115.17 0.32 13.52 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.067 -177.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.9 t -92.46 -49.23 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.361 0.6 . . . . 0.0 109.951 -178.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -92.54 -36.84 12.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.03 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 62.52 25.25 15.04 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.558 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.626 ' HG2' ' H ' ' A' ' 39' ' ' TRP . 24.9 ttmt -101.85 -164.85 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.447 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.626 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 31.9 m95 72.44 -67.52 0.26 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.003 0.521 . . . . 0.0 110.652 -175.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.518 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 26.1 m 64.8 -175.97 0.17 Allowed 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.784 0.677 . . . . 0.0 111.249 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 29' ' ' SER . 9.0 m -83.47 -0.15 48.91 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.812 -176.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 70.88 -55.29 0.65 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.316 0.647 . . . . 0.0 111.613 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -84.7 -4.99 59.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.957 0.408 . . . . 0.0 111.014 -178.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.704 ' HB2' HG12 ' A' ' 59' ' ' ILE . 13.2 tp -137.8 143.98 42.4 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HD2' ' HG ' ' A' ' 44' ' ' LEU . 37.7 Cg_exo -63.21 -169.57 0.09 OUTLIER 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 123.248 2.632 . . . . 0.0 113.767 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -81.87 18.61 1.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.651 -176.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 p -65.4 158.08 27.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 111.481 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -74.92 104.64 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.334 0.588 . . . . 0.0 112.455 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.46 ' CE2' HD21 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -122.97 170.49 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.534 167.308 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -127.56 -52.98 1.36 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.4 p -112.55 164.09 13.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.356 -171.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.53 -40.62 80.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.65 -46.45 85.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.14 0.495 . . . . 0.0 109.726 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.08 -45.95 92.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.561 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' O ' HG13 ' A' ' 59' ' ' ILE . 2.7 tm? -56.79 -48.36 78.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.889 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.2 -49.89 74.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.511 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.401 HH21 ' CD ' ' A' ' 6' ' ' GLU . 97.5 mtt180 -67.77 -37.91 82.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 -179.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.3 92.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.115 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.704 HG12 ' HB2' ' A' ' 44' ' ' LEU . 51.7 mt -63.03 -49.84 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.652 0.263 . . . . 0.0 110.631 178.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 8' ' ' PHE . 70.2 mt -64.81 -39.55 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.225 0.536 . . . . 0.0 110.779 -178.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -66.76 -30.1 70.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.731 -177.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -100.46 -21.06 15.49 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -171.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.7 p -103.04 156.52 17.63 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.946 0.403 . . . . 0.0 111.119 -177.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.5 m -90.66 -30.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.126 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.85 -35.16 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.648 -176.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -86.34 -21.68 27.11 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.155 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.4 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 32.7 t -72.51 -43.15 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 174.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.95 -57.91 3.65 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.77 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.61 128.58 51.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.4 0.619 . . . . 0.0 112.492 -173.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -141.68 151.49 43.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.058 172.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -97.92 -36.23 10.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.747 0.308 . . . . 0.0 110.736 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -127.31 -157.04 9.32 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.248 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.249 1.051 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -176.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.853 0.358 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.1 m -82.35 125.78 31.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.674 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -129.98 136.33 49.31 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.529 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 75.6 t60 -100.32 125.67 46.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -114.13 142.16 46.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.985 0.421 . . . . 0.0 110.299 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.626 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 7.6 tp10 -155.76 145.47 21.2 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.79 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.8 t -123.27 120.05 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.424 ' HE2' ' HB2' ' A' ' 61' ' ' ARG . 10.0 t80 -128.56 111.2 12.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 57.0 30.74 18.68 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.823 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.32 -8.17 69.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.345 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.5 147.23 18.55 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.433 ' HB ' ' HA ' ' A' ' 24' ' ' ASN . 15.7 m -102.76 139.04 38.85 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.043 -176.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.626 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 58.4 mt -108.49 120.12 59.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 173.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -117.24 104.62 11.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.82 -176.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.529 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 65.2 mt -116.24 122.54 69.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 O-C-N 122.064 -0.398 . . . . 0.0 111.344 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.665 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 1.7 mp0 -102.11 125.46 48.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 t70 62.5 14.31 6.89 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.339 0.59 . . . . 0.0 111.317 173.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 66.92 9.63 6.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.165 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -119.89 -47.41 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.688 -174.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.665 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 22.3 t -78.75 124.96 28.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.805 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -108.52 116.83 32.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.152 0.501 . . . . 0.0 110.81 -175.84 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 137.55 42.63 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.728 172.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.6 mt -116.81 108.42 24.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' HA ' ' HB ' ' A' ' 12' ' ' THR . 61.6 t30 62.34 28.04 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.35 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.77 2.14 69.93 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.517 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -103.07 123.14 46.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.81 128.69 37.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.582 ' HB ' HD12 ' A' ' 21' ' ' LEU . 44.8 mm -108.59 132.85 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 -176.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 m -95.54 115.49 27.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.19 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.805 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 56.5 m-85 -118.43 170.6 8.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.967 173.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.38 87.49 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.258 0.552 . . . . 0.0 109.595 175.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.431 ' C ' ' H ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -103.66 96.54 6.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -178.792 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.1 t70 73.47 -26.11 0.19 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.562 0.745 . . . . 0.0 112.696 174.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' A' ' 32' ' ' HIS . . . -101.96 106.68 17.64 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.476 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.6 t -76.29 -24.99 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.351 0.596 . . . . 0.0 110.158 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -85.4 0.62 51.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.425 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -85.5 55.97 3.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.4 tptt 67.38 162.88 0.19 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.105 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -105.97 133.16 51.13 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.946 -0.471 . . . . 0.0 110.644 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.0 m 73.2 169.41 0.31 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.492 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 44' ' ' LEU . 4.0 m -66.17 148.27 52.08 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.782 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.489 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -68.55 -47.93 65.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.093 0.473 . . . . 0.0 110.915 -176.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -86.66 17.45 3.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.121 -176.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.499 ' HB3' ' HB2' ' A' ' 41' ' ' SER . 16.5 tp -140.66 143.97 34.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.468 ' HD2' HD11 ' A' ' 44' ' ' LEU . 38.6 Cg_endo -68.58 -179.15 2.22 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.499 2.133 . . . . 0.0 112.613 177.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -84.5 43.8 0.99 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.159 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.93 171.07 15.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.314 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -101.97 113.44 26.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.31 0.576 . . . . 0.0 109.907 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -120.68 -173.23 2.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.002 -175.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -115.45 -67.46 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -173.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 p -134.09 -176.55 4.23 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -169.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.96 -43.45 62.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -174.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.432 HD21 ' HA ' ' A' ' 53' ' ' LEU . 0.7 OUTLIER -64.87 -37.86 89.05 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 177.583 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.08 -44.62 96.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.422 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.8 mt -57.83 -51.28 70.24 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.525 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 60' ' ' ILE . . . -57.1 -47.03 82.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.17 -177.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -66.93 -32.6 73.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.185 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.16 -36.77 72.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.187 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.6 mt -68.72 -44.87 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.683 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 56' ' ' ALA . 70.4 mt -68.44 -43.42 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -175.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 5.0 ttp180 -71.96 -43.26 65.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -169.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.65 14.92 13.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -171.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.8 p -126.18 170.73 11.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.12 -6.14 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.609 0.718 . . . . 0.0 109.754 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -87.84 0.78 55.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.246 -173.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -126.52 16.4 7.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.3 t -144.47 155.75 43.86 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.39 -57.02 0.41 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.982 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.6 t -86.24 111.37 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.822 0.344 . . . . 0.0 110.135 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -88.11 -58.85 2.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.938 -175.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 65.15 96.4 0.05 OUTLIER 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.77 0.669 . . . . 0.0 110.623 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.82 116.2 3.32 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.689 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.281 -0.866 . . . . 0.0 109.879 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttm . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m -101.87 3.38 39.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.782 -171.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -89.03 106.47 18.46 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.712 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -98.67 126.18 44.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.219 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.518 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 2.5 m -129.63 141.37 50.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.773 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -159.22 161.64 36.11 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.174 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.1 t -112.71 127.23 70.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.796 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -118.12 107.41 13.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 55.04 20.56 3.29 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.095 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.32 -29.46 6.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.377 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.96 135.04 13.98 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.895 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 m -96.42 124.85 40.55 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.992 0.425 . . . . 0.0 111.44 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 5' ' ' THR . 71.2 mt -98.77 120.26 47.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.545 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -112.4 124.36 52.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.737 176.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.8 mt -110.32 120.0 60.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.216 0.532 . . . . 0.0 110.604 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.86 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 34.3 mm-40 -111.98 124.87 53.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.137 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.461 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 34.1 t70 57.34 23.92 9.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.568 173.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 13.9 t70 73.48 -24.7 0.2 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.104 177.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.425 ' H ' ' C ' ' A' ' 17' ' ' ASP . 15.4 p -103.64 -37.93 7.32 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.86 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 7.7 t -78.51 114.99 17.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.115 0.483 . . . . 0.0 110.349 -177.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -103.52 118.22 36.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.411 179.336 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 1.2 p -126.59 120.27 29.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.016 0.436 . . . . 0.0 111.066 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 83.1 mt -112.54 116.41 52.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 56.31 23.01 6.77 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.971 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.48 -0.74 58.36 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.123 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 22' ' ' THR . 14.1 mptt -95.43 138.87 32.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.006 0.403 . . . . 0.0 110.647 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -87.99 115.07 25.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.476 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 47.0 mm -102.96 135.88 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.336 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -136.65 158.65 43.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.409 ' HH ' ' HG ' ' A' ' 21' ' ' LEU . 4.9 m-85 -117.49 157.31 26.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.19 -175.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.7 t -82.09 93.21 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 168.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -108.94 14.41 24.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.677 -170.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -99.07 -12.91 20.11 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.834 -176.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' A' ' 38' ' ' LYS . . . -66.12 109.06 2.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.479 -176.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.58 -36.17 52.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.527 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -88.06 27.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.76 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.426 ' C ' ' H ' ' A' ' 39' ' ' TRP . 20.1 m120 68.93 23.6 6.66 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.553 171.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.601 ' HB2' ' HB2' ' A' ' 34' ' ' ALA . 28.0 mmmt -78.68 36.56 0.27 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.558 176.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.589 ' HD1' ' HB3' ' A' ' 34' ' ' ALA . 35.9 m0 -68.85 117.24 10.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.325 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.415 ' HG ' ' C ' ' A' ' 39' ' ' TRP . 25.1 m -153.05 173.55 15.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.06 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p -123.54 147.56 47.15 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 171.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -71.86 5.08 2.79 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.307 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.495 ' HB2' HD21 ' A' ' 44' ' ' LEU . 62.0 m-85 -97.42 -28.25 14.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.266 -178.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.495 HD21 ' HB2' ' A' ' 43' ' ' TYR . 2.8 mm? -115.94 88.05 20.39 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.077 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.12 139.69 61.99 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.619 2.212 . . . . 0.0 112.374 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 69.05 7.79 6.45 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.652 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.4 p 54.93 133.96 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.843 1.257 . . . . 0.0 113.531 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.433 ' HG2' ' HB3' ' A' ' 44' ' ' LEU . 18.5 pt20 -152.35 31.68 0.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.055 -176.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -134.53 156.41 48.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.065 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -84.74 -57.39 3.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.678 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.4 t -142.47 -164.61 1.86 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.47 -51.01 70.46 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -173.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.98 -40.71 94.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.202 0.525 . . . . 0.0 110.181 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -68.64 -32.25 71.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.575 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 59' ' ' ILE . 8.3 tt -56.84 -45.89 82.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.988 177.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.17 99.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.81 -34.92 76.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.127 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.23 -38.06 87.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 55' ' ' LEU . 66.2 mt -62.77 -50.28 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.352 178.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.4 mt -59.92 -40.01 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.431 -176.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -79.36 -36.63 39.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -85.09 -25.9 27.26 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.468 -0.493 . . . . 0.0 112.123 -171.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.9 p -112.97 122.19 46.91 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.343 0.592 . . . . 0.0 110.369 178.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.73 -28.36 41.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.879 -173.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.91 -28.49 68.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.282 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -82.82 -4.22 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.872 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.3 m -95.58 -0.62 51.72 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 172.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.15 146.57 50.26 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.478 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.2 t 59.86 84.18 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 121.687 0.756 . . . . 0.0 110.229 -173.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -141.14 157.64 45.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.113 -175.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -126.14 -41.63 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.83 0.348 . . . . 0.0 110.333 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.45 -142.42 37.1 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.045 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.572 -0.727 . . . . 0.0 109.448 178.38 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 121.226 0.536 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -130.92 142.94 50.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.876 0.37 . . . . 0.0 110.489 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.405 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 60.1 t60 -112.94 118.77 35.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.366 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -101.16 141.5 33.96 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 174.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -155.97 139.4 15.81 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.4 t -113.49 113.31 43.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.089 0.471 . . . . 0.0 110.264 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -110.33 105.2 14.13 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 51.06 27.57 3.4 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.601 0.761 . . . . 0.0 112.992 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.84 -13.77 22.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.88 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.03 130.99 10.41 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.766 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.1 m -90.49 128.99 36.7 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.976 0.417 . . . . 0.0 110.927 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.2 mt -97.78 120.47 47.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.686 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -107.39 110.85 22.93 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.943 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.405 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 71.5 mt -114.58 119.26 61.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 172.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -119.63 140.35 50.75 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 120.755 0.312 . . . . 0.0 111.037 -173.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.4 t0 60.31 30.25 19.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.501 0.667 . . . . 0.0 110.32 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.12 19.62 10.16 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.981 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.4 -163.73 1.81 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.6 t 65.25 103.8 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.023 0.44 . . . . 0.0 111.91 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.579 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -90.67 115.64 27.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.337 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.35 140.23 44.9 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.083 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.7 mt -128.18 117.52 45.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 67.12 15.48 10.08 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.941 0.877 . . . . 0.0 109.819 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.41 -10.82 65.21 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.31 -176.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -84.66 129.23 34.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.311 . . . . 0.0 110.755 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.32 124.83 23.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.296 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.5 ' HB ' HD12 ' A' ' 21' ' ' LEU . 49.7 mm -103.81 101.71 12.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.156 0.503 . . . . 0.0 110.021 177.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -83.49 108.56 16.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.663 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.481 0 CA-C-O 121.164 0.507 . . . . 0.0 110.497 176.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 N--CA 1.444 -0.736 0 CA-C-O 120.782 0.325 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -62.48 -28.17 69.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.95 -172.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -86.2 -22.66 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.529 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.493 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 56.8 mt -130.79 84.7 57.77 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.089 0.471 . . . . 0.0 110.145 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.86 128.7 5.98 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 123.203 2.602 . . . . 0.0 113.128 -174.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 67.4 12.88 9.14 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.238 173.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' ' 44' ' ' LEU . 20.5 p -98.87 144.22 28.31 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -102.66 123.87 47.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.118 0.485 . . . . 0.0 111.342 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.84 168.29 12.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.733 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -94.69 -60.2 1.76 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.005 0.431 . . . . 0.0 111.788 -173.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -130.56 179.4 5.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.338 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 52' ' ' LEU . 1.2 tm? -72.89 -46.46 52.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.084 -175.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.89 -41.82 97.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.28 -43.76 88.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.764 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.554 ' O ' HG13 ' A' ' 59' ' ' ILE . 46.4 tp -56.57 -51.25 69.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.609 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.0 80.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.3 -177.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -71.53 -34.37 69.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.19 81.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.753 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 55' ' ' LEU . 71.9 mt -63.05 -50.53 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.69 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.23 -39.33 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.364 0.602 . . . . 0.0 110.664 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -67.54 -34.07 76.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.808 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -92.87 -25.25 18.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -171.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.468 ' HB ' ' OE1' ' A' ' 65' ' ' GLU . 46.6 p -118.47 122.64 43.23 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.062 0.458 . . . . 0.0 111.27 -178.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -75.4 -9.47 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.042 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.468 ' OE1' ' HB ' ' A' ' 63' ' ' THR . 22.7 mp0 -57.57 -37.47 73.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.038 177.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -92.55 -4.12 54.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.132 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 110.132 177.892 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 121.25 0.548 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 53.6 p-80 -130.25 114.16 15.31 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.872 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.498 ' HB3' HD12 ' A' ' 15' ' ' ILE . 61.3 t60 -104.36 118.21 36.07 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.238 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -130.61 124.1 30.97 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.54 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -156.25 171.3 20.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.51 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.8 t -121.67 121.01 63.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.522 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -111.48 105.75 14.44 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 50.54 33.05 7.36 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 111.783 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.72 -28.29 14.67 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.36 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.83 119.38 5.99 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.442 -0.885 . . . . 0.0 111.602 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -91.91 125.6 36.67 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 120.683 0.278 . . . . 0.0 110.267 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 5' ' ' THR . 63.8 mt -98.09 119.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.14 102.54 10.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.719 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.498 HD12 ' HB3' ' A' ' 4' ' ' HIS . 62.5 mt -112.62 120.12 62.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.914 0.388 . . . . 0.0 110.688 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.763 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 31.0 mt-10 -109.06 128.33 54.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.007 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.1 t70 60.52 20.19 9.97 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.907 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t70 61.07 17.67 8.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.934 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 p -131.96 -39.83 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.603 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.763 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 3.0 t -76.77 106.3 8.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.6 tp -104.61 116.35 31.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.207 0.527 . . . . 0.0 111.363 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.461 HG22 ' HA ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -135.16 141.62 45.96 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.066 176.189 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.5 113.3 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.558 0.218 . . . . 0.0 110.47 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.7 t30 61.94 29.94 17.93 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.528 0.68 . . . . 0.0 110.786 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.93 -11.1 69.96 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.626 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.62 128.48 41.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.949 0.374 . . . . 0.0 110.065 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HA ' HG22 ' A' ' 22' ' ' THR . 27.6 tt0 -78.95 125.24 29.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.146 0.498 . . . . 0.0 110.355 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.4 mm -88.27 104.46 14.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.487 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.602 ' H ' ' HE2' ' A' ' 43' ' ' TYR . 33.5 m -60.53 100.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.521 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.454 ' HD1' ' HB3' ' A' ' 41' ' ' SER . 24.4 t80 . . . . . 0 C--N 1.321 -0.669 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.454 ' HB3' ' HD1' ' A' ' 30' ' ' TYR . 10.0 p . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 120.58 0.229 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -87.35 61.11 6.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.384 0.612 . . . . 0.0 110.729 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.602 ' HE2' ' H ' ' A' ' 29' ' ' SER . 67.7 m-85 -139.51 -62.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.129 175.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.483 ' HG ' ' HD2' ' A' ' 45' ' ' PRO . 13.0 tp -74.74 144.68 80.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.242 -0.89 . . . . 0.0 108.935 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.483 ' HD2' ' HG ' ' A' ' 44' ' ' LEU . 36.3 Cg_endo -65.62 -169.39 0.14 Allowed 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.411 2.074 . . . . 0.0 112.564 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -79.96 48.59 0.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.058 0.456 . . . . 0.0 111.56 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.02 171.01 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.466 174.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -82.95 95.49 8.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.339 0.59 . . . . 0.0 111.385 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.478 ' CE2' HD23 ' A' ' 44' ' ' LEU . 47.4 p90 -154.4 161.15 41.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.65 174.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -158.21 -25.96 0.08 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.342 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.4 m -83.86 145.82 28.43 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.327 -0.233 . . . . 0.0 110.942 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.78 -50.43 66.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 53' ' ' LEU . 4.1 mm? -69.14 -31.01 69.38 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.95 0.405 . . . . 0.0 110.654 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -66.39 -48.71 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.463 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.46 -46.55 83.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.658 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 -46.43 81.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -71.41 -39.13 71.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.309 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.72 94.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.215 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.0 mt -64.16 -48.75 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.888 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.95 -39.54 82.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.876 0.369 . . . . 0.0 110.928 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -75.57 -28.1 58.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.849 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -94.47 -25.26 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.87 -0.519 . . . . 0.0 111.96 -175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.9 p -127.59 122.39 33.05 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.099 0.476 . . . . 0.0 111.183 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 m -75.32 -4.5 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.384 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.79 -20.08 63.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.207 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -114.54 6.31 15.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -173.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 p . . . . . 0 C--N 1.324 -0.536 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.488 -177.794 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 4.1 m . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.7 0.286 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 49.7 t-80 -105.27 126.4 52.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.126 0.489 . . . . 0.0 110.962 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.524 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 45.2 t60 -111.94 133.72 53.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.59 175.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.07 134.95 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.108 0.255 . . . . 0.0 110.861 178.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -159.31 156.79 29.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.714 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.1 t -107.52 128.21 62.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.001 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -119.1 106.9 12.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.31 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 48.58 36.38 7.48 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.206 0.603 . . . . 0.0 112.22 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.96 -12.98 41.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.289 -0.958 . . . . 0.0 113.19 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.26 159.69 19.31 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.71 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.6 m -116.8 128.04 54.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 117.203 0.502 . . . . 0.0 110.523 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.423 HG22 HG13 ' A' ' 15' ' ' ILE . 68.7 mt -106.16 120.04 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.07 -178.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -112.07 113.96 26.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.007 173.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.524 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 49.9 mt -118.38 124.39 73.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.314 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.862 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 29.3 mt-10 -123.36 116.9 24.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.184 0.516 . . . . 0.0 111.064 172.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 25.6 t70 46.95 49.98 14.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.271 174.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 11.6 t70 75.32 -52.62 0.66 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 172.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -89.19 -34.15 16.77 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -168.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.862 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 8.3 t -76.52 108.22 9.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD2' HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -127.51 122.62 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -176.146 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.21 120.94 19.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.928 0.394 . . . . 0.0 110.916 175.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.8 mt -106.07 108.95 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.094 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 63.65 19.63 11.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.1 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -9.11 55.61 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.613 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.99 124.45 31.7 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.574 -0.368 . . . . 0.0 110.163 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.57 112.11 5.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.488 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.44 ' HB ' HD12 ' A' ' 21' ' ' LEU . 45.1 mm -100.91 93.55 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.24 0.543 . . . . 0.0 109.823 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -88.33 121.79 31.12 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.958 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.512 ' HE1' HD22 ' A' ' 55' ' ' LEU . 73.9 m-85 . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.443 -0.807 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -55.57 -30.75 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -88.29 -0.7 57.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.454 HD23 ' HG ' ' A' ' 55' ' ' LEU . 20.9 tp -156.08 86.92 3.05 Favored Pre-proline 0 N--CA 1.465 0.284 0 CA-C-O 120.716 0.293 . . . . 0.0 110.852 -177.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.47 101.52 1.47 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.322 2.014 . . . . 0.0 113.88 -176.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.4 p90 42.29 59.28 2.72 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.75 1.22 . . . . 0.0 114.077 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.553 HG22 ' H ' ' A' ' 48' ' ' GLN . 2.7 m -88.86 177.23 6.75 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 171.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.553 ' H ' HG22 ' A' ' 47' ' ' THR . 62.1 tt0 -76.08 93.21 3.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.211 0.529 . . . . 0.0 110.571 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -129.13 152.84 48.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.534 174.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.59 -43.01 23.76 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.4 -177.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.463 ' H ' ' HB3' ' A' ' 54' ' ' ASP . 5.2 p -170.73 -166.21 0.48 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.471 -174.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.02 -48.66 79.3 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.82 -41.32 95.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.251 0.548 . . . . 0.0 110.119 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.545 ' HA ' HH11 ' A' ' 57' ' ' ARG . 24.1 t70 -71.03 -35.9 72.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.497 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.512 HD22 ' HE1' ' A' ' 30' ' ' TYR . 9.2 tt -62.24 -46.62 88.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.978 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.7 -40.65 76.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.463 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.545 HH11 ' HA ' ' A' ' 54' ' ' ASP . 18.8 mtp-105 -67.27 -40.17 86.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.034 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.66 -38.3 87.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.166 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.0 -40.9 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.785 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.5 mt -69.68 -46.56 74.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -174.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -81.9 -36.53 28.02 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.573 -171.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.91 6.25 22.39 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.533 -0.467 . . . . 0.0 112.124 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.9 p -114.43 176.63 4.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.4 p -113.49 -30.73 2.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.901 0.381 . . . . 0.0 111.163 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -85.73 -22.18 27.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -173.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -79.25 -9.95 59.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 111.328 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.395 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 53.0 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.715 0.293 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -111.9 140.05 46.88 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.574 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 74.6 t60 -135.53 123.5 22.73 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 -177.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 2.6 m -126.78 140.96 51.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.332 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -159.98 161.88 34.21 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.2 126.14 75.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.92 0.39 . . . . 0.0 110.582 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.486 ' O ' HG21 ' A' ' 60' ' ' ILE . 37.4 t80 -120.96 110.95 16.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.002 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 54.13 30.63 12.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.85 0.29 56.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.183 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.38 135.92 13.19 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.929 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 23' ' ' ILE . 31.6 m -98.93 128.45 45.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.787 0.294 . . . . 0.0 110.953 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 5' ' ' THR . 72.7 mt -98.52 120.27 47.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.244 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -109.13 108.32 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.929 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 53.8 mt -113.29 122.14 66.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 176.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -124.96 123.6 40.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.36 . . . . 0.0 111.178 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 t70 56.74 35.72 26.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.67 171.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 74.66 -32.44 0.23 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 173.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -95.85 -43.03 8.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 t -71.12 116.7 11.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -176.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.629 ' HG ' ' CE1' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -122.54 116.28 23.63 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 177.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.28 141.32 45.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.414 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 12' ' ' THR . 77.7 mt -125.32 113.13 33.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 62.75 22.42 13.36 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.967 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.57 5.53 71.75 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.574 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -101.27 127.24 47.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.76 122.99 18.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.973 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.604 ' HB ' HD12 ' A' ' 21' ' ' LEU . 48.5 mm -97.7 107.64 20.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.057 177.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -73.93 100.93 3.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.365 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.629 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 5.8 m-85 . . . . . 0 CA--C 1.516 -0.36 0 CA-C-O 121.206 0.527 . . . . 0.0 109.958 174.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.444 -0.766 0 CA-C-O 120.77 0.319 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -78.31 45.06 0.53 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 112.183 -172.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -123.88 -16.11 6.72 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.0 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -112.51 152.11 44.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.685 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.472 ' O ' ' HB2' ' A' ' 46' ' ' TYR . 12.8 Cg_exo -70.0 64.93 1.94 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.172 2.582 . . . . 0.0 111.683 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.472 ' HB2' ' O ' ' A' ' 45' ' ' PRO . 20.5 m-85 73.74 -53.86 0.69 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.927 0.891 . . . . 0.0 110.598 -176.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -142.61 146.25 34.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.682 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -170.13 23.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -169.66 165.26 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.136 -170.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -115.91 -48.6 2.74 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 172.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.0 m -96.9 160.79 14.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.998 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -73.18 -29.93 63.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.304 -176.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -68.01 -42.04 81.27 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.018 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.91 -31.18 72.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.824 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 59' ' ' ILE . 6.9 tt -53.67 -48.96 68.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.998 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.51 95.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.377 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -70.95 -36.83 72.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.26 85.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.789 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 55' ' ' LEU . 77.0 mt -62.2 -50.95 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.296 178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.486 HG21 ' O ' ' A' ' 8' ' ' PHE . 64.7 mt -60.75 -39.53 82.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.209 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -69.98 -43.61 71.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.652 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -25.67 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -172.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.1 p -107.74 94.02 4.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.715 0.769 . . . . 0.0 109.392 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.42 -6.02 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.099 -172.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -72.68 -13.49 61.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.27 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -96.98 7.97 45.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.864 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.823 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.6 p . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.713 0.768 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.43 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . 8.5 p-80 -112.83 130.33 56.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.367 171.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.459 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.5 t60 -98.45 117.82 33.73 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.886 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.67 137.07 35.25 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.73 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 6.3 tp10 -147.32 153.81 40.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 11' ' ' GLY . 95.9 t -122.53 113.36 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.88 0.371 . . . . 0.0 110.277 175.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.453 ' HB3' HD12 ' A' ' 60' ' ' ILE . 82.8 t80 -110.99 107.35 16.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.12 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 56.65 23.98 8.37 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.561 0.538 . . . . 0.0 111.729 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.84 -18.0 24.68 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.628 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 7' ' ' VAL . . . -86.76 149.15 22.19 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.171 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.8 m -100.77 116.44 32.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.09 0.471 . . . . 0.0 111.051 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.73 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 69.6 mt -98.83 121.4 49.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.509 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -116.02 103.46 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.513 HG13 HG22 ' A' ' 13' ' ' ILE . 63.9 mt -109.81 119.71 59.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.779 0.323 . . . . 0.0 110.799 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.633 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 43.7 mt-10 -111.52 123.4 50.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.842 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t70 58.08 22.93 9.5 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.524 0.515 . . . . 0.0 110.649 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 45.04 29.34 0.47 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.349 1.06 . . . . 0.0 112.506 -174.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 p -137.45 -52.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.815 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.633 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 37.3 m -67.49 115.66 7.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.749 172.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.823 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -120.11 126.64 51.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.277 0.56 . . . . 0.0 111.823 -173.744 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.11 141.67 44.19 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.032 174.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.53 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 55.9 mt -127.64 118.57 49.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 m120 57.07 21.06 6.0 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.17 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.8 -5.75 43.47 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.716 175.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 15.6 ptpt -108.64 147.83 31.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.761 0.78 . . . . 0.0 110.865 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.51 133.95 43.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.169 -171.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.823 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 50.8 mm -105.93 142.12 19.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.105 177.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -128.47 120.36 26.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.847 0.356 . . . . 0.0 110.615 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 55' ' ' LEU . 21.0 m-85 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.41 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.449 -0.503 0 CA-C-O 120.646 0.26 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -63.47 -24.34 67.78 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.159 -172.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -67.91 -22.25 65.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.115 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.412 HD21 HG12 ' A' ' 59' ' ' ILE . 3.0 mm? -118.66 156.94 51.04 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.232 -178.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.464 ' HG2' ' OG1' ' A' ' 47' ' ' THR . 60.4 Cg_endo -75.67 -178.03 4.01 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.175 1.917 . . . . 0.0 111.625 172.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -82.54 52.46 2.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.394 0.616 . . . . 0.0 111.627 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.464 ' OG1' ' HG2' ' A' ' 45' ' ' PRO . 0.2 OUTLIER -83.48 169.16 15.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.695 174.805 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -86.18 91.77 8.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.33 0.586 . . . . 0.0 111.765 -177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.502 ' CD1' HD21 ' A' ' 55' ' ' LEU . 9.8 p90 -123.65 167.8 13.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.052 171.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -156.88 -35.75 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.678 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.8 m -88.4 139.77 30.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.805 0.336 . . . . 0.0 111.435 -174.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.58 -37.11 84.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.667 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 tm? -63.78 -39.57 94.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.572 ' HA ' ' HE ' ' A' ' 57' ' ' ARG . 31.4 t70 -64.53 -42.81 95.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.768 178.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 1.7 mm? -55.11 -47.34 75.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.281 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.45 -39.03 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.143 0.497 . . . . 0.0 111.185 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HE ' ' HA ' ' A' ' 54' ' ' ASP . 47.7 mtm180 -71.54 -43.87 65.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.091 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.5 -37.76 79.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.018 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 55' ' ' LEU . 75.5 mt -62.85 -50.18 80.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.996 178.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 8' ' ' PHE . 64.7 mt -68.44 -38.54 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.978 0.418 . . . . 0.0 110.886 -177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -72.07 -36.49 69.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.839 -175.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -93.33 -25.74 17.6 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -170.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.51 130.07 34.06 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.525 0.679 . . . . 0.0 110.666 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -99.44 -4.18 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.335 -169.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.04 -5.04 15.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.24 0.543 . . . . 0.0 110.814 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -92.67 -9.17 41.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.2 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 121.203 0.525 . . . . 0.0 110.687 176.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 C--O 1.233 0.189 0 CA-C-O 121.085 0.469 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -109.97 143.88 39.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.575 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.5 t60 -123.29 126.22 46.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.871 0.367 . . . . 0.0 110.988 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -97.74 141.2 31.04 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 170.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.984 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 10.7 tp10 -146.3 143.58 29.24 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -174.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.3 t -123.35 118.2 53.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -116.63 107.03 14.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 57.31 18.62 4.44 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.217 0.607 . . . . 0.0 111.912 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.98 -16.99 22.72 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.481 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.3 141.75 24.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.914 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -91.5 116.5 28.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.597 0.237 . . . . 0.0 110.793 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.984 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.2 mt -101.26 119.42 49.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.874 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -108.47 104.77 14.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.552 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.575 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 56.7 mt -110.86 126.9 68.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.167 0.508 . . . . 0.0 111.325 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.719 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 10.3 mm-40 -114.4 124.14 51.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.845 175.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 62.96 14.97 7.97 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.308 0.575 . . . . 0.0 111.133 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.532 ' HA ' ' CG2' ' A' ' 15' ' ' ILE . 12.9 t70 66.37 5.54 3.79 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.528 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -125.07 -42.35 2.03 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 122.192 -0.317 . . . . 0.0 111.713 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.719 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 17.3 m -64.63 114.35 4.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.767 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.99 115.54 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.027 0.442 . . . . 0.0 111.134 -172.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.98 139.11 42.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.98 170.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.5 mt -128.85 120.43 52.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 60.74 22.94 12.86 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.571 0.701 . . . . 0.0 110.492 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 -12.34 66.57 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.818 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -97.26 130.33 44.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.848 -0.207 . . . . 0.0 110.463 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -80.65 142.06 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 59' ' ' ILE . 49.5 mm -105.41 127.23 60.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.03 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.4 m -62.5 103.89 0.46 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.313 0.577 . . . . 0.0 110.338 174.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.516 -176.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.449 -0.525 0 CA-C-O 120.812 0.339 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -67.83 -10.56 53.98 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -169.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -79.66 -12.27 59.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.91 HD11 HG12 ' A' ' 59' ' ' ILE . 5.3 mp -120.41 88.57 42.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.026 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.24 96.9 0.15 Allowed 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.904 2.403 . . . . 0.0 112.627 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.5 p90 43.47 56.88 4.15 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.288 1.035 . . . . 0.0 113.169 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.551 ' OG1' ' HB3' ' A' ' 44' ' ' LEU . 37.0 p -105.83 165.08 11.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.202 175.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -97.51 134.64 40.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.002 0.429 . . . . 0.0 110.943 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -158.89 176.09 12.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.271 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -143.4 -49.96 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -97.97 165.55 11.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.04 -171.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.3 tt -72.97 -46.27 53.28 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -67.79 -37.36 81.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.086 0.47 . . . . 0.0 110.309 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -60.31 -42.74 96.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.152 174.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.606 ' O ' HG13 ' A' ' 59' ' ' ILE . 50.3 tp -57.6 -50.39 73.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.718 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.77 -42.98 80.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.63 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -70.95 -34.64 71.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.801 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.15 77.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.91 HG12 HD11 ' A' ' 44' ' ' LEU . 71.2 mt -61.72 -49.92 82.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.5 178.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.14 -39.57 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.615 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -63.11 -32.62 74.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.042 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -92.79 -5.64 50.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 0.0 111.634 -173.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.3 p -126.41 138.91 53.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.378 0.609 . . . . 0.0 111.367 -178.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 p -90.98 -5.72 10.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.756 0.789 . . . . 0.0 109.537 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.3 -43.52 98.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.898 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -88.76 -31.71 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.052 0.453 . . . . 0.0 110.428 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.639 179.326 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 6.7 p . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.44 0.162 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.579 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 1.7 m170 -122.45 105.25 9.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.238 0.542 . . . . 0.0 110.5 175.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.579 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 44.7 t-80 -103.75 120.7 41.48 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.442 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -119.51 128.86 54.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.806 -178.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -136.72 148.22 47.19 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.2 t -112.31 122.6 66.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.911 0.386 . . . . 0.0 110.312 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -115.88 105.29 12.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.581 177.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 51.24 27.11 3.31 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.161 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.63 -25.43 9.65 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.943 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.41 134.23 12.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.641 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -95.73 124.82 39.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.995 0.426 . . . . 0.0 111.476 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 5' ' ' THR . 74.8 mt -98.15 120.38 47.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.921 177.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.38 109.24 18.38 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.581 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 41.8 mt -109.8 127.34 66.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.592 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 14.0 tt0 -125.37 132.32 52.82 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.029 0.443 . . . . 0.0 110.995 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 1.3 t70 49.0 40.96 18.21 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.097 165.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 6.0 t70 74.97 -52.65 0.67 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 173.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -95.0 -21.96 18.25 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -168.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.592 ' HB2' ' HB3' ' A' ' 16' ' ' GLU . 19.3 m -93.42 105.7 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.112 0.482 . . . . 0.0 111.635 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.59 ' HB3' ' HE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -102.98 120.69 41.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.993 176.679 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p -129.6 141.75 50.89 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.002 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.1 mt -126.07 120.33 56.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.0 t30 64.19 12.61 7.23 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.332 0.587 . . . . 0.0 110.636 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.0 -35.15 4.17 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.061 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' NZ ' ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.21 147.89 25.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.009 0.404 . . . . 0.0 111.392 -175.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.8 144.41 52.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.161 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.416 ' CG1' HD12 ' A' ' 21' ' ' LEU . 36.8 mm -100.74 136.23 33.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 174.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 m -98.25 132.85 43.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.495 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.59 ' HE2' ' HB3' ' A' ' 21' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.416 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -175.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.444 -0.739 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -77.77 72.34 4.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.493 0.663 . . . . 0.0 111.401 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -143.4 -63.9 0.39 Allowed 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.906 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 59' ' ' ILE . 7.2 mp -101.02 162.24 21.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.682 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 44' ' ' LEU . 40.5 Cg_endo -68.39 83.17 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.568 2.179 . . . . 0.0 112.359 177.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 70.89 -69.47 0.18 Allowed 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 124.225 1.01 . . . . 0.0 110.114 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 p 52.9 141.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.385 1.474 . . . . 0.0 113.964 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -95.49 106.17 18.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.787 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -136.68 143.4 43.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.223 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -126.09 -10.56 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.204 0.526 . . . . 0.0 110.746 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.427 ' HB3' ' CB ' ' A' ' 54' ' ' ASP . 41.3 t -112.03 138.5 48.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.192 176.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.525 HD21 HD23 ' A' ' 21' ' ' LEU . 10.1 tt -64.79 -40.97 96.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.925 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.65 -40.08 92.09 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.484 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.427 ' CB ' ' HB3' ' A' ' 51' ' ' SER . 38.8 t70 -64.98 -41.72 95.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.358 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.38 -50.79 71.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.268 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.98 92.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.66 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -69.56 -32.8 71.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.102 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.2 90.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.634 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.538 ' HA ' HD11 ' A' ' 44' ' ' LEU . 65.5 mt -62.64 -51.26 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.387 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.5 mt -60.28 -38.84 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.029 0.443 . . . . 0.0 111.167 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -63.56 -43.47 96.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.557 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.89 -19.03 21.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.5 p -113.35 93.93 4.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.819 0.818 . . . . 0.0 109.239 172.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.1 m -74.1 -9.44 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.542 -167.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -77.88 -1.5 32.02 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.738 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -78.42 -21.39 49.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.043 0.449 . . . . 0.0 110.36 173.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.327 -0.4 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 173.814 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 121.305 0.574 . . . . 0.0 109.751 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -116.51 136.17 53.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.436 -0.802 . . . . 0.0 108.919 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.548 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 80.3 t60 -98.86 116.97 32.29 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.25 123.83 38.97 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.643 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 5.1 tp10 -147.04 136.66 22.95 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.3 p -116.74 128.04 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.231 0.539 . . . . 0.0 110.659 177.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.478 ' O ' HG21 ' A' ' 60' ' ' ILE . 47.4 t80 -129.99 110.08 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.181 -178.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 52.88 41.53 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.105 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.51 -13.95 56.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.756 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.17 132.99 11.53 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.347 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 m -88.95 131.44 35.15 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 120.972 0.415 . . . . 0.0 110.949 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.643 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.2 mt -98.44 119.39 46.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -114.63 102.77 10.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.087 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.548 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 66.2 mt -113.02 119.26 60.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -106.15 129.31 54.24 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.126 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.433 ' C ' ' H ' ' A' ' 19' ' ' THR . 35.2 t70 61.38 13.29 4.88 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 124.005 0.816 . . . . 0.0 111.922 169.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 64.77 -9.34 0.19 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.254 0.621 . . . . 0.0 111.791 -174.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.433 ' H ' ' C ' ' A' ' 17' ' ' ASP . 13.1 m -94.59 -33.72 12.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.894 0.378 . . . . 0.0 111.369 -174.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -101.64 148.48 25.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.377 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.402 HD12 ' HB ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -127.56 116.3 20.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.326 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.23 137.66 42.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.485 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.495 ' C ' ' H ' ' A' ' 25' ' ' GLY . 72.6 mt -114.29 114.13 45.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 71.04 -33.91 0.28 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.718 0.807 . . . . 0.0 111.269 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' A' ' 23' ' ' ILE . . . 159.15 -20.11 0.28 Allowed Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.242 -177.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 27' ' ' GLU . 10.5 tmtt? -79.19 131.37 36.18 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -76.52 134.82 39.36 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.016 0.436 . . . . 0.0 110.855 -176.536 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.402 ' HB ' HD12 ' A' ' 21' ' ' LEU . 48.5 mm -101.69 123.18 54.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.979 0.419 . . . . 0.0 111.439 -175.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.9 p -74.2 146.72 43.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.88 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.6 t80 . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -175.758 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.442 -0.839 0 CA-C-O 120.798 0.332 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 63.51 25.75 14.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.798 0.808 . . . . 0.0 110.403 -174.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -101.73 -56.4 2.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.351 -0.84 . . . . 0.0 108.967 174.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.488 HD22 ' HB1' ' A' ' 58' ' ' ALA . 8.5 mp -104.45 158.92 30.93 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.061 172.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' A' ' 47' ' ' THR . 31.3 Cg_exo -59.39 -163.39 0.02 OUTLIER 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 123.342 2.695 . . . . 0.0 113.261 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -74.03 30.44 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.773 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.425 ' H ' ' C ' ' A' ' 45' ' ' PRO . 16.9 p -63.09 155.33 28.2 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.837 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -76.67 97.66 4.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.76 -173.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -137.39 137.91 39.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.327 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -147.47 3.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.199 0.523 . . . . 0.0 111.404 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 61.8 m -111.85 140.22 46.68 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.022 -0.424 . . . . 0.0 109.862 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 52' ' ' LEU . 3.8 mm? -63.32 -41.37 98.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.704 0.288 . . . . 0.0 110.85 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.602 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 tm? -68.7 -40.32 80.07 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.413 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 27.0 t70 -62.65 -46.96 85.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.854 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.45 -43.41 93.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.295 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.72 93.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.114 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.602 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 63.6 mtm180 -65.93 -45.27 82.49 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.682 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.488 ' HB1' HD22 ' A' ' 44' ' ' LEU . . . -57.4 -39.51 76.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -176.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.51 -50.14 69.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.718 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 8' ' ' PHE . 70.0 mt -63.26 -38.36 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.362 0.601 . . . . 0.0 110.597 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -63.14 -37.62 87.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.756 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -96.06 -25.8 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.8 p -116.76 118.55 32.83 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.246 0.546 . . . . 0.0 110.818 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.5 m -80.76 -7.32 10.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.635 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.39 -31.36 72.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.41 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -84.45 3.25 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 111.111 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 t . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.41 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.411 0.624 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 31.9 p-80 -128.52 135.55 49.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.752 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.516 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 86.2 t60 -109.03 118.02 35.71 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -94.56 138.33 32.58 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.045 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.967 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 4.7 tp10 -143.54 136.76 27.9 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.8 t -115.91 116.64 52.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.416 ' O ' HG21 ' A' ' 60' ' ' ILE . 11.2 t80 -129.1 108.25 10.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.127 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 56.64 25.47 10.04 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.854 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.04 -5.11 52.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.767 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.58 144.71 17.25 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.51 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.2 m -105.05 116.68 32.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.967 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.4 mt -97.2 119.82 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.862 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -113.24 105.36 13.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.583 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.516 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 66.2 mt -110.48 120.7 61.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.768 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 33.9 mt-10 -119.92 123.38 43.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.062 0.458 . . . . 0.0 112.224 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 17.8 t70 45.14 48.64 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.444 -1.253 . . . . 0.0 112.218 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 2.3 t70 75.14 -53.19 0.66 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 173.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 m -90.32 -31.39 16.94 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -167.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.768 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 4.2 t -79.49 104.31 10.01 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.45 HD22 HG12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -110.31 115.57 29.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.151 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.73 141.62 46.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.592 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.5 mt -129.29 116.33 39.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 65.44 8.54 5.09 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.572 0.545 . . . . 0.0 111.797 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.86 -10.93 49.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.805 -175.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -85.85 137.74 32.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.65 140.18 35.81 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.163 -178.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.0 mm -109.4 96.67 4.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.2 t -91.08 99.22 12.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.788 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.438 ' HE1' HD22 ' A' ' 55' ' ' LEU . 13.6 m-85 . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 172.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.444 -0.766 0 CA-C-O 120.689 0.281 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 74.68 -46.33 0.6 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.739 0.816 . . . . 0.0 111.602 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -60.76 -34.5 74.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.799 0.333 . . . . 0.0 111.405 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.862 HD11 HG12 ' A' ' 59' ' ' ILE . 6.6 mp -98.18 144.02 27.31 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.935 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -83.06 82.94 2.03 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.046 2.497 . . . . 0.0 112.27 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.0 p90 44.2 30.18 0.42 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.563 1.145 . . . . 0.0 113.281 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.24 165.16 19.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.878 0.37 . . . . 0.0 110.511 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -88.81 129.49 35.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.164 0.507 . . . . 0.0 111.583 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.545 ' CG ' ' HG ' ' A' ' 55' ' ' LEU . 7.8 p90 -159.04 158.48 33.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.023 175.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -136.45 -42.94 0.62 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.573 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 16.1 m -108.22 170.71 7.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.139 -170.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.4 -51.84 32.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -173.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.6 -38.24 77.2 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.073 0.464 . . . . 0.0 109.769 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.95 -41.77 88.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.609 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.642 ' O ' HG13 ' A' ' 59' ' ' ILE . 1.4 tt -69.05 -51.03 43.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.896 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.421 ' HA ' HD12 ' A' ' 59' ' ' ILE . . . -57.35 -43.09 83.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.931 -177.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -69.17 -31.15 69.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.969 0.414 . . . . 0.0 110.8 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.15 -33.93 72.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.503 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.862 HG12 HD11 ' A' ' 44' ' ' LEU . 62.9 mt -61.66 -50.83 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.334 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.416 HG21 ' O ' ' A' ' 8' ' ' PHE . 70.7 mt -65.52 -39.84 86.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -177.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 28.7 ttt85 -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.452 -175.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -105.89 -24.93 12.34 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.865 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.6 p -124.65 110.34 14.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.242 0.544 . . . . 0.0 110.734 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 t -71.36 -18.71 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.131 -172.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.51 -4.45 11.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -100.71 7.26 43.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.46 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.329 -0.305 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.35 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.6 m . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 13.8 p-80 -123.29 137.72 54.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.774 -178.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 57.5 t60 -106.05 120.2 41.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.286 170.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -106.06 137.71 43.52 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -149.56 136.19 19.35 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 11' ' ' GLY . 61.0 t -107.45 115.94 49.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.239 0.542 . . . . 0.0 111.346 -176.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -112.21 106.35 14.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.647 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.419 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 5.2 mm-40 54.41 36.35 25.27 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.107 0.479 . . . . 0.0 111.698 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.49 -11.99 70.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.313 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 7' ' ' VAL . . . -86.17 140.16 17.4 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.406 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.4 m -102.09 117.1 34.08 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.049 0.452 . . . . 0.0 110.815 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.4 mt -96.47 119.92 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.476 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -115.89 116.73 28.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.733 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.553 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 60.2 mt -109.65 120.25 60.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 1.016 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 42.1 mt-10 -101.96 115.98 31.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.467 -178.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 27.8 t70 51.54 42.37 29.42 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.877 170.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.465 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 19.8 t70 75.17 -12.36 0.97 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 172.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.4 p -120.93 -54.6 2.02 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -173.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 1.016 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 8.4 t -65.49 117.16 7.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.736 0.303 . . . . 0.0 110.948 -172.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.663 HD12 ' HB ' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -99.43 116.37 31.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -130.94 138.66 49.84 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.693 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.0 mt -127.44 119.66 52.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 61.36 16.94 7.86 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.073 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.19 -21.69 32.84 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.468 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -89.14 129.13 35.79 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.4 140.19 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.816 0.341 . . . . 0.0 110.652 -176.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.663 ' HB ' HD12 ' A' ' 21' ' ' LEU . 47.4 mm -104.36 120.33 54.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.951 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 m -94.36 109.49 21.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.984 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.5 p90 . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 121.475 0.655 . . . . 0.0 111.36 176.361 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.445 -0.691 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 58.15 -36.34 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 126.003 1.721 . . . . 0.0 115.241 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -67.81 -25.47 65.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.441 0.564 . . . . 0.0 111.545 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.85 153.64 37.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -66.08 -172.78 0.29 Allowed 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.154 2.569 . . . . 0.0 112.655 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -82.68 41.63 0.73 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.161 -175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 48' ' ' GLN . 1.0 OUTLIER -105.59 170.81 7.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.458 ' H ' HG22 ' A' ' 47' ' ' THR . 15.7 pt20 -105.4 123.68 48.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.251 0.548 . . . . 0.0 110.313 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -134.59 120.81 20.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.619 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -106.68 -21.89 12.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.969 0.414 . . . . 0.0 110.546 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.837 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 10.5 m -79.13 126.54 30.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.484 HD11 HD23 ' A' ' 21' ' ' LEU . 2.8 tm? -65.2 -44.62 87.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.036 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.97 -34.11 77.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.837 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 8.8 t0 -65.84 -41.34 91.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.452 ' O ' HG13 ' A' ' 59' ' ' ILE . 8.9 tt -59.88 -49.93 75.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.117 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.42 90.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.366 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -67.31 -39.41 85.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.967 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.49 -34.27 72.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.842 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 55' ' ' LEU . 82.8 mt -62.9 -51.04 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.49 178.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.33 -38.87 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.768 0.794 . . . . 0.0 109.659 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -58.42 -43.84 88.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.475 -1.238 . . . . 0.0 112.279 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.13 -0.41 26.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -172.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.488 ' OG1' ' HD2' ' A' ' 66' ' ' PHE . 64.2 p -120.28 126.6 50.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.126 0.488 . . . . 0.0 110.039 173.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.28 -31.0 42.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.176 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -74.92 -16.37 60.66 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -173.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.488 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 50.1 m-85 -92.39 -13.11 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.618 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 C--N 1.328 -0.367 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.679 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.341 0.591 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.482 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . 17.2 p-80 -121.78 138.23 54.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.371 175.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -108.44 123.33 48.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.437 -176.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.11 134.11 54.76 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.49 176.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -160.62 163.22 32.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.741 176.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.8 t -116.08 124.8 72.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 174.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -111.51 106.28 15.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.098 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 49.57 31.21 3.98 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 175.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.42 -20.97 20.27 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.72 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.55 136.17 13.06 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.822 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -88.49 130.87 35.11 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.473 0.177 . . . . 0.0 110.871 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -102.78 119.12 50.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.871 0.367 . . . . 0.0 110.219 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -120.26 102.4 8.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.299 175.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.476 HG12 HD22 ' A' ' 21' ' ' LEU . 63.9 mt -119.77 122.92 69.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.795 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 27.3 mt-10 -121.79 117.38 26.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.22 0.533 . . . . 0.0 112.126 178.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 t0 48.84 40.89 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.481 -1.236 . . . . 0.0 112.625 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t70 74.04 -35.71 0.31 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.861 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.2 p -79.56 -49.31 12.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.795 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 19.1 t -73.78 96.25 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.465 -177.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.993 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -105.79 113.12 26.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 173.378 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.87 124.5 22.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 178.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.8 mt -106.33 107.7 23.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 58.01 20.53 6.91 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.046 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.25 -19.8 13.02 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.762 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -88.15 122.85 32.19 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.444 -0.445 . . . . 0.0 110.574 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 12.4 pt-20 -80.48 120.4 24.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.412 0.625 . . . . 0.0 109.675 175.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.2 mm -90.47 116.88 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.738 -175.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 p -74.79 111.89 10.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.256 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.993 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 78.2 m-85 . . . . . 0 CA--C 1.514 -0.412 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.804 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.449 -0.517 0 CA-C-O 120.926 0.394 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 42' ' ' ARG . 15.0 tpt180 -68.56 -36.24 78.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.26 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.56 -25.56 61.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.955 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.519 HD22 ' HA ' ' A' ' 59' ' ' ILE . 34.7 tp -152.75 87.19 4.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 0.0 109.912 -179.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -76.17 119.6 5.38 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.185 2.59 . . . . 0.0 113.62 -171.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 57.59 64.53 1.55 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.491 170.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.78 172.8 11.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.021 176.23 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -90.33 86.58 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.505 ' CD1' HD13 ' A' ' 55' ' ' LEU . 50.3 p90 -131.9 171.15 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.068 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -115.7 -45.35 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.84 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.7 p -118.37 168.19 10.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.792 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.7 tp -70.2 -33.06 71.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.119 0.485 . . . . 0.0 110.065 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -42.26 87.35 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.26 -37.66 88.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.292 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.505 HD13 ' CD1' ' A' ' 49' ' ' TYR . 57.4 tp -62.64 -44.72 95.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.973 177.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.76 -44.11 81.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.98 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.82 -34.21 71.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.837 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.64 74.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.884 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.519 ' HA ' HD22 ' A' ' 44' ' ' LEU . 64.5 mt -64.56 -49.93 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.933 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.88 -40.32 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.388 0.614 . . . . 0.0 110.159 178.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -59.06 -36.08 74.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.763 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.11 -25.35 17.19 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -173.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.1 p -82.3 137.33 34.84 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.518 0.675 . . . . 0.0 111.629 -175.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.7 m -97.54 -24.35 4.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.449 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -75.21 -33.77 61.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.962 0.41 . . . . 0.0 111.168 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -74.75 -25.76 59.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 109.879 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.3 176.353 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 m . . . . . 0 CA--C 1.519 -0.246 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.6 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 4.7 p-80 -120.99 135.83 55.12 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.458 0.647 . . . . 0.0 111.815 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -98.56 120.84 39.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.301 175.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.688 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 11.1 m -131.16 139.55 49.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.202 0.525 . . . . 0.0 110.687 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -159.78 142.47 13.71 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.985 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.6 t -96.36 116.36 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.007 0.432 . . . . 0.0 110.064 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.412 ' HE2' ' HB2' ' A' ' 61' ' ' ARG . 40.7 t80 -109.76 106.34 15.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.456 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 54.47 18.92 2.12 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.46 -17.44 14.05 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.667 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.51 133.22 11.41 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.608 ' H ' ' HB2' ' A' ' 24' ' ' ASN . 19.6 m -96.09 125.24 40.49 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.646 0.26 . . . . 0.0 111.139 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.688 ' O ' ' HA ' ' A' ' 5' ' ' THR . 69.7 mt -97.9 119.81 46.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -126.29 113.58 17.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.6 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 61.7 mt -119.6 119.22 59.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -114.14 128.22 56.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.138 0.494 . . . . 0.0 111.867 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 t0 61.4 29.58 18.57 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.412 171.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.4 t70 66.38 17.87 10.76 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.921 0.867 . . . . 0.0 110.292 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 p -140.23 -166.24 2.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.962 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 m 53.14 82.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.435 0.46 . . . . 0.0 111.75 172.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.916 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -89.73 114.77 26.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.696 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -135.27 129.38 33.49 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.612 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.447 HD12 HG13 ' A' ' 28' ' ' ILE . 67.3 mt -118.77 106.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.608 ' HB2' ' H ' ' A' ' 12' ' ' THR . 61.5 t30 50.56 50.98 17.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.164 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.38 -9.75 66.33 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.714 -0.675 . . . . 0.0 113.174 177.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -96.88 141.42 30.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.652 -0.322 . . . . 0.0 110.245 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.38 130.07 39.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.272 0.558 . . . . 0.0 110.461 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.734 ' HB ' HD12 ' A' ' 21' ' ' LEU . 29.6 mm -116.21 104.69 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.541 -176.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 m -75.97 -26.26 56.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.275 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.916 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 95.2 m-85 . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -170.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 N--CA 1.442 -0.863 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 42' ' ' ARG . 14.0 ptm180 -58.19 -27.88 64.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 111.731 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.429 ' C ' HD12 ' A' ' 44' ' ' LEU . 93.4 m-85 -74.67 -33.62 62.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.025 0.44 . . . . 0.0 110.488 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 62' ' ' ASP . 8.9 mp -128.98 83.34 66.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.176 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.51 139.1 30.84 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.434 2.09 . . . . 0.0 113.034 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 61.44 22.86 13.21 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.302 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.684 HG21 ' HB3' ' A' ' 44' ' ' LEU . 6.6 p -76.89 150.59 36.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.906 0.384 . . . . 0.0 111.445 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -99.87 127.11 46.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.788 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -150.74 172.53 15.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.242 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -125.14 -46.76 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.212 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.5 t -111.47 164.29 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -176.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.96 -40.56 65.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.849 0.357 . . . . 0.0 110.526 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.38 -39.8 89.31 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.73 -42.8 93.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.529 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.465 ' O ' HG13 ' A' ' 59' ' ' ILE . 1.3 tt -59.37 -46.64 88.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.268 178.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.08 82.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -66.86 -38.54 86.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.49 75.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 55' ' ' LEU . 84.5 mt -62.23 -48.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.584 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.411 HG21 ' O ' ' A' ' 8' ' ' PHE . 61.3 mt -69.39 -40.66 80.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.217 0.532 . . . . 0.0 110.964 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.412 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 50.0 ttt180 -62.99 -38.04 89.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.94 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.689 ' HB3' HD21 ' A' ' 44' ' ' LEU . 17.8 t70 -89.99 -1.76 58.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.671 -172.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.1 p -116.04 -174.71 2.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.866 0.365 . . . . 0.0 111.145 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.5 t -129.81 -50.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.344 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -85.78 18.19 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -173.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.57 -3.26 58.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.025 0.44 . . . . 0.0 110.599 174.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.608 174.844 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 CA--C 1.535 0.368 0 CA-C-O 122.181 0.991 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 1.4 p80 -99.52 143.63 29.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.912 -172.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -113.8 118.2 33.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.51 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.28 128.45 55.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.834 177.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -155.99 145.14 20.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.58 -172.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.9 t -113.48 125.21 70.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.861 0.362 . . . . 0.0 110.035 176.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.418 ' O ' HG21 ' A' ' 60' ' ' ILE . 42.8 t80 -125.87 107.39 10.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.111 -177.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 56.7 29.31 15.6 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.719 0.408 . . . . 0.0 111.774 176.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.01 -10.06 58.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.686 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.405 ' HA3' HD13 ' A' ' 60' ' ' ILE . . . -90.74 145.29 17.82 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.085 -0.579 . . . . 0.0 111.769 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -106.51 123.16 47.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.466 HD12 ' HB1' ' A' ' 56' ' ' ALA . 37.4 mm -97.84 120.21 46.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -120.04 101.94 8.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.382 176.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 64.1 mt -113.63 120.54 63.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 10.1 tt0 -120.26 133.87 55.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.576 0.227 . . . . 0.0 110.678 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 59.89 14.23 4.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.271 171.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 57.01 18.5 4.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 122.894 0.478 . . . . 0.0 111.577 -174.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.6 p -126.46 -42.26 1.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.251 0.548 . . . . 0.0 110.667 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.461 ' HB2' ' HB3' ' A' ' 16' ' ' GLU . 51.1 m -85.61 103.9 14.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.386 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.819 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -101.18 115.55 30.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 177.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.7 132.0 36.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.8 mt -116.97 114.72 46.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m120 62.24 24.38 14.51 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.338 0.589 . . . . 0.0 110.694 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.76 -6.4 77.02 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.416 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -94.12 122.95 37.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -70.39 128.97 38.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.092 0.472 . . . . 0.0 111.086 -177.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.81 ' HB ' HD12 ' A' ' 21' ' ' LEU . 47.5 mm -107.84 98.66 7.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.044 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 m -82.99 108.83 16.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.728 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.819 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 84.0 m-85 . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.648 ' N ' ' HH ' ' A' ' 49' ' ' TYR . 3.9 p . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 41' ' ' SER . 87.8 mtt180 -165.04 -57.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.258 177.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.447 ' O ' ' HD3' ' A' ' 45' ' ' PRO . 13.2 m-85 -76.05 -27.17 57.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.911 -175.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -115.0 86.93 14.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.704 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 43' ' ' TYR . 2.8 Cg_exo -75.89 136.76 19.02 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.918 2.412 . . . . 0.0 112.59 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 62.9 66.57 0.74 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.579 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.17 154.27 51.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.891 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -96.17 98.37 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 111.053 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.648 ' HH ' ' N ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -153.1 172.11 17.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.52 175.279 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -163.52 -35.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.805 0.336 . . . . 0.0 111.881 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 15.1 m -87.59 155.39 19.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.495 -174.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -64.96 -50.89 64.62 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.544 0.211 . . . . 0.0 111.363 -171.832 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.34 -38.44 84.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.335 0.588 . . . . 0.0 109.669 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.538 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 5.5 t70 -58.64 -41.48 86.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.76 175.281 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 51' ' ' SER . 63.6 mt -61.23 -52.67 63.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.253 177.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.466 ' HB1' HD12 ' A' ' 13' ' ' ILE . . . -62.68 -45.15 94.11 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.768 -175.012 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.62 -37.26 76.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.76 84.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.645 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 55' ' ' LEU . 88.7 mt -62.92 -49.78 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.027 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.418 HG21 ' O ' ' A' ' 8' ' ' PHE . 68.2 mt -66.04 -39.93 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.196 0.522 . . . . 0.0 110.586 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -58.88 -36.38 74.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.501 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.0 9.48 38.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 p -125.49 157.94 35.72 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.275 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.4 m -107.27 -17.58 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.455 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.59 -24.81 61.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.66 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -99.5 15.01 27.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.848 0.356 . . . . 0.0 111.133 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.57 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 121.0 0.428 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -86.92 132.31 33.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.818 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -107.17 120.6 42.54 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.825 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -94.89 139.42 31.35 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 171.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 1.023 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 14.9 tp10 -143.78 136.5 27.24 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.2 t -122.96 116.51 48.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.504 ' O ' HG21 ' A' ' 60' ' ' ILE . 38.5 t80 -127.46 113.96 16.86 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.973 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 59.0 24.07 12.26 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.512 0.508 . . . . 0.0 111.371 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.76 -3.48 60.86 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.915 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.23 137.0 13.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.271 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 m -93.46 121.23 34.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 1.023 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 80.6 mt -98.3 120.22 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.324 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.25 115.39 30.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.019 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.3 mt -110.11 120.53 61.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.811 0.338 . . . . 0.0 110.493 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 26.1 mt-10 -125.43 134.7 52.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.697 -177.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 4.3 t70 51.11 27.73 3.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.066 171.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.454 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 22.6 t70 74.12 -49.66 0.68 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.464 0.705 . . . . 0.0 112.454 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 m -89.62 -24.12 21.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -173.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.518 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 20.5 t -78.24 102.57 7.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.907 0.384 . . . . 0.0 110.372 -177.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.48 HD12 ' HB ' ' A' ' 28' ' ' ILE . 0.4 OUTLIER -98.8 118.07 34.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.261 178.837 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.4 140.86 45.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.868 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.5 mt -131.18 120.74 47.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 66.46 11.02 7.77 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.469 0.652 . . . . 0.0 110.409 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.8 -5.84 60.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.783 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -89.99 126.86 35.9 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -76.53 131.52 39.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.364 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.48 ' HB ' HD12 ' A' ' 21' ' ' LEU . 51.0 mm -108.75 102.8 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.924 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.5 m -89.07 116.59 27.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.338 173.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.451 0.643 . . . . 0.0 111.941 -179.599 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.446 -0.652 0 CA-C-O 120.671 0.272 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -64.55 -16.5 62.72 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -85.81 -4.36 59.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.992 0.425 . . . . 0.0 110.141 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.747 ' HG ' ' HB ' ' A' ' 47' ' ' THR . 15.7 tp -125.25 86.15 57.33 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.582 -175.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -65.55 101.37 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.505 2.803 . . . . 0.0 113.696 -171.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 71.09 -4.06 1.88 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.918 173.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.747 ' HB ' ' HG ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -69.63 164.22 23.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.145 0.498 . . . . 0.0 110.825 -178.386 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -128.35 151.32 49.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.304 -178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -143.92 165.66 27.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.821 0.343 . . . . 0.0 110.613 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -83.17 -53.86 5.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.824 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 p -156.09 -166.28 2.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.09 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.86 -46.51 89.12 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -171.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.09 -47.48 79.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.1 0.476 . . . . 0.0 110.047 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.57 -33.96 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.664 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.19 -51.72 68.21 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.943 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.61 93.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.04 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -66.93 -38.84 86.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.699 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.03 88.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.3 mt -62.91 -49.33 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.504 HG21 ' O ' ' A' ' 8' ' ' PHE . 71.2 mt -61.44 -39.72 83.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.812 0.339 . . . . 0.0 111.17 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.444 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 33.8 ttp180 -68.64 -43.53 76.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.778 0.323 . . . . 0.0 111.361 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -25.72 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.064 0.459 . . . . 0.0 111.423 -173.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.7 p -124.25 94.49 4.23 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.617 0.722 . . . . 0.0 109.754 173.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.2 m -73.84 -1.49 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.791 -170.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -74.41 1.33 11.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.203 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -94.96 -2.84 49.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.249 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.296 177.429 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.082 0.468 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 2.0 p80 -102.09 143.09 32.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.587 -178.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.583 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.9 t60 -110.74 116.56 31.51 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -102.87 135.64 44.17 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' CD ' HH21 ' A' ' 57' ' ' ARG . 33.1 tt0 -159.54 140.36 12.43 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.487 -174.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.3 t -117.0 114.75 46.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -110.55 107.67 17.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.037 -177.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 58.53 10.73 1.47 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.28 0.632 . . . . 0.0 112.524 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.28 -13.55 8.93 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.712 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.12 146.98 19.37 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.969 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -101.28 116.63 33.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.745 0.307 . . . . 0.0 110.77 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.5 mt -99.08 120.19 48.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -116.63 102.4 9.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.04 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.583 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 64.5 mt -113.18 123.22 68.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 121.182 -0.207 . . . . 0.0 110.607 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 20' ' ' SER . 2.3 tm-20 -118.41 131.07 56.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 36.0 t70 57.46 24.45 10.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.623 172.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.467 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 5.6 t70 74.64 -48.37 0.65 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.354 0.661 . . . . 0.0 112.46 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.4 m -94.98 -14.63 24.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -171.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 16' ' ' GLU . 36.8 m -92.3 97.86 11.14 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.8 tp -108.02 123.97 49.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.284 0.564 . . . . 0.0 112.05 -172.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.03 142.11 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.509 176.081 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.526 HD12 HG13 ' A' ' 28' ' ' ILE . 63.3 mt -125.2 117.28 49.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 m120 59.33 26.56 15.44 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.894 -177.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.49 -8.12 77.27 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.775 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -94.56 127.45 40.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.86 111.98 4.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.549 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.526 HG13 HD12 ' A' ' 23' ' ' ILE . 49.3 mm -100.68 99.53 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.227 0.537 . . . . 0.0 109.927 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -95.46 124.02 39.28 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.177 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 172.715 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.2 p . . . . . 0 N--CA 1.443 -0.807 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -85.39 22.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.615 0.722 . . . . 0.0 110.306 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.08 -51.54 2.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 172.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 59' ' ' ILE . 8.1 mp -124.43 86.44 55.04 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.528 172.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.481 ' HB2' ' HD1' ' A' ' 46' ' ' TYR . 72.4 Cg_endo -89.06 133.29 2.4 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.785 2.323 . . . . 0.0 112.767 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.481 ' HD1' ' HB2' ' A' ' 45' ' ' PRO . 59.3 m-85 68.7 12.4 8.66 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.505 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -80.01 170.31 16.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.341 178.071 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.427 ' H ' HG22 ' A' ' 47' ' ' THR . 31.7 mm-40 -94.78 108.42 20.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.29 0.567 . . . . 0.0 111.438 -175.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.421 ' CD2' ' HG ' ' A' ' 55' ' ' LEU . 17.8 p90 -131.31 143.81 50.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.877 174.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -91.58 -36.48 13.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.128 0.49 . . . . 0.0 111.391 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.492 ' H ' ' HB3' ' A' ' 54' ' ' ASP . 24.0 t -137.77 167.0 22.61 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.288 -176.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.98 -42.17 99.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.807 0.337 . . . . 0.0 110.76 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.425 HD23 HD11 ' A' ' 15' ' ' ILE . 3.1 tm? -67.66 -35.22 78.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.225 0.536 . . . . 0.0 109.639 178.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.492 ' HB3' ' H ' ' A' ' 51' ' ' SER . 36.1 t70 -64.33 -36.08 82.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.101 177.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 49' ' ' TYR . 1.7 tt -63.9 -47.23 81.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.998 176.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.16 80.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.002 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.405 HH21 ' CD ' ' A' ' 6' ' ' GLU . 97.2 mtt180 -66.02 -39.55 90.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.561 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.85 -38.18 81.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.895 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.491 ' HA ' HD13 ' A' ' 44' ' ' LEU . 79.3 mt -62.61 -49.19 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.63 -39.81 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.203 0.525 . . . . 0.0 110.523 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -62.11 -32.31 72.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.517 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -95.15 -6.51 41.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.7 -173.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.4 p -116.32 175.87 5.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.114 0.483 . . . . 0.0 111.596 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.2 t -121.12 -32.72 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.222 176.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.22 -25.73 67.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.478 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -80.08 73.65 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.549 0.69 . . . . 0.0 110.036 175.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.791 -178.663 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.5 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 39.9 p . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.279 0.561 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -88.71 111.37 21.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.486 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.609 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 78.3 t60 -96.31 120.41 36.55 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -125.01 142.02 51.76 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.62 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.55 153.1 22.61 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.979 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.37 114.35 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.865 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.535 ' HB3' HD12 ' A' ' 60' ' ' ILE . 31.8 t80 -109.82 107.54 17.55 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 53.89 28.69 8.78 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.09 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.62 -1.2 61.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.659 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.78 141.88 15.84 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.637 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -90.31 119.77 30.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.788 0.328 . . . . 0.0 110.994 -177.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.428 HD12 ' HB1' ' A' ' 56' ' ' ALA . 41.7 mm -98.0 119.84 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.905 176.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.86 107.53 14.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.367 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.609 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 68.1 mt -116.31 119.95 63.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -110.77 144.2 40.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.404 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.5 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 25.3 t70 57.95 29.03 17.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.192 171.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 t70 70.65 -6.86 1.14 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.365 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -132.11 -42.08 0.99 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -170.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 50.9 m -67.01 122.72 18.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.859 0.362 . . . . 0.0 111.354 -176.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.48 HD22 HG12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -107.33 116.92 32.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.735 -175.097 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -135.6 138.52 43.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 175.64 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' A' ' 56' ' ' ALA . 61.5 mt -135.57 128.34 47.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 65.52 14.31 9.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.581 0.705 . . . . 0.0 110.972 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.04 5.09 68.28 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.924 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -110.4 134.76 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.521 ' HA ' HG22 ' A' ' 22' ' ' THR . 35.9 tt0 -74.91 142.28 44.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.015 0.436 . . . . 0.0 110.85 -177.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 42.4 mm -107.98 98.56 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.477 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.4 m -76.04 112.19 12.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.378 0.609 . . . . 0.0 111.94 -176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.976 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 1.4 m . . . . . 0 N--CA 1.443 -0.79 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 41' ' ' SER . 15.7 ttm180 173.48 -58.07 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.759 171.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -55.06 -42.6 72.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.896 -173.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.497 ' HB3' HG21 ' A' ' 47' ' ' THR . 8.6 mp -123.62 87.19 52.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.693 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.02 158.68 23.9 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.531 2.154 . . . . 0.0 112.047 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 58.04 38.41 26.67 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 111.457 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.497 HG21 ' HB3' ' A' ' 44' ' ' LEU . 7.2 p -113.65 170.75 8.02 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -125.94 110.45 13.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.131 0.491 . . . . 0.0 111.199 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -161.95 171.55 17.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.757 178.541 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -146.69 -1.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 111.246 177.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.2 t -114.75 146.51 40.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.622 0.249 . . . . 0.0 110.882 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.47 -37.74 77.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.424 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.43 -45.85 85.74 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.25 -47.25 86.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.186 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.53 HD23 ' CE2' ' A' ' 49' ' ' TYR . 2.6 tm? -61.89 -48.23 81.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.714 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.445 ' HA ' HD11 ' A' ' 23' ' ' ILE . . . -56.44 -46.25 80.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.194 0.521 . . . . 0.0 111.089 -178.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -72.0 -32.53 67.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.164 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.47 80.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.583 0.23 . . . . 0.0 111.165 178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 55' ' ' LEU . 56.9 mt -63.41 -50.22 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.558 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 8' ' ' PHE . 62.6 mt -64.56 -37.69 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.429 0.633 . . . . 0.0 109.89 178.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -58.66 -35.53 72.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.77 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -101.59 -26.33 13.57 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.8 p -126.28 121.16 31.84 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.17 0.509 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 m -82.13 -11.77 12.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.11 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -70.65 -2.1 13.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -98.11 3.3 49.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.139 0.495 . . . . 0.0 110.599 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 C--N 1.325 -0.482 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 172.894 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -110.11 134.24 52.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.922 0.392 . . . . 0.0 110.357 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.548 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.4 t60 -118.81 117.36 28.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -110.74 125.05 53.1 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.291 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -142.8 141.22 31.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.519 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.2 t -106.19 124.94 61.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.002 0.429 . . . . 0.0 110.723 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -121.47 108.38 13.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.782 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 58.34 23.71 10.81 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.143 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.9 -20.59 28.83 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.345 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.26 136.62 14.32 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.958 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.1 m -89.27 127.94 35.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.897 0.38 . . . . 0.0 110.993 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.491 HG22 HG13 ' A' ' 15' ' ' ILE . 67.0 mt -98.62 119.08 46.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.597 174.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.0 103.83 13.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.065 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.548 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 61.6 mt -114.03 120.78 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.842 0.353 . . . . 0.0 110.476 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.894 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 31.2 mt-10 -122.18 123.55 41.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.759 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 65.77 14.19 9.4 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.335 0.588 . . . . 0.0 111.464 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 66.31 6.36 4.22 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.383 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -118.69 -37.22 3.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 0.0 111.27 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.894 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 30.9 t -80.47 116.49 20.55 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.633 ' HG ' ' OH ' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -120.68 116.6 25.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.119 0.485 . . . . 0.0 110.007 -179.27 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.66 131.74 36.11 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.902 177.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.41 HG22 ' HB3' ' A' ' 66' ' ' PHE . 64.7 mt -116.41 121.24 67.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 71.9 -12.94 0.62 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.43 0.692 . . . . 0.0 110.789 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 23' ' ' ILE . . . 120.73 4.33 10.63 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -174.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -106.85 132.98 52.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.31 135.21 50.11 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.828 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.408 HG13 HG13 ' A' ' 23' ' ' ILE . 40.3 mm -111.16 114.05 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.652 -178.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 t -113.1 150.7 31.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.975 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.633 ' OH ' ' HG ' ' A' ' 21' ' ' LEU . 8.0 m-85 . . . . . 0 C--N 1.323 -0.559 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.546 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 5.9 p . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.001 0.429 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? 175.14 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.953 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -86.68 -27.62 23.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.394 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mp -128.14 76.65 77.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.148 174.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -95.41 78.06 0.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 123.032 2.488 . . . . 0.0 112.73 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -149.77 -63.01 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.665 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.1 p -92.69 143.58 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.777 -177.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -90.15 111.22 22.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.608 0.718 . . . . 0.0 110.151 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.509 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -112.24 147.58 35.93 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.189 -179.443 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -119.29 -31.51 4.64 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -174.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.584 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 22.4 m -76.73 129.85 36.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.04 -178.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.68 -41.47 97.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.865 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.641 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 4.3 mm? -69.24 -41.45 76.96 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.281 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.584 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 38.4 t70 -58.23 -43.92 88.01 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.495 0.664 . . . . 0.0 109.996 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.509 ' HG ' ' CD1' ' A' ' 49' ' ' TYR . 1.4 tt -64.14 -49.62 71.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.454 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -46.81 87.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.313 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 10.1 mtm180 -61.91 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.18 92.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -178.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.6 -48.27 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.988 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.86 -39.54 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 110.755 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -69.12 -31.79 70.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.099 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -86.23 -25.58 25.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.997 0.427 . . . . 0.0 112.11 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.2 p -109.44 170.58 7.97 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.364 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.87 -23.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.01 -50.32 72.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.41 ' HB3' HG22 ' A' ' 23' ' ' ILE . 97.8 m-85 -74.35 -17.89 60.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.367 -175.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.011 176.278 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.6 m . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.93 0.395 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.603 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 35.3 m80 -96.6 128.3 43.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.604 176.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.418 ' HB3' HD12 ' A' ' 15' ' ' ILE . 40.2 t60 -98.75 117.65 33.71 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 172.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.18 123.16 37.39 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.207 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.41 ' CD ' HH21 ' A' ' 57' ' ' ARG . 31.6 tt0 -160.16 142.04 12.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.49 -176.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.3 t -122.29 117.3 51.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 173.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.426 ' O ' HG21 ' A' ' 60' ' ' ILE . 41.1 t80 -110.84 107.71 17.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.529 -175.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 51.36 30.61 6.24 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 174.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 67' ' ' SER . . . 119.83 -33.53 4.56 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.875 178.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.66 139.48 14.76 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.812 -174.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -89.2 128.89 35.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.701 0.286 . . . . 0.0 110.75 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.8 mt -103.02 120.66 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.973 0.416 . . . . 0.0 110.376 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.29 123.57 49.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.391 176.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 62.3 mt -124.36 126.43 71.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.137 -175.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 1.126 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 20.3 mm-40 -108.95 105.55 15.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.53 173.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 11.2 t70 60.57 18.67 8.57 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.543 0.527 . . . . 0.0 111.335 171.52 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 17' ' ' ASP . 1.2 m-20 74.14 -42.07 0.5 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.888 0.875 . . . . 0.0 112.482 -177.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.29 -15.44 60.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -176.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 1.126 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 7.9 t -114.91 95.63 5.31 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.575 ' HB3' ' HE1' ' A' ' 30' ' ' TYR . 63.3 tp -98.96 122.05 41.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.007 0.432 . . . . 0.0 111.083 -177.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 p -129.31 121.93 28.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.755 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.1 mt -103.96 112.03 35.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.5 t30 54.24 30.44 12.36 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.881 -176.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.99 -23.66 32.97 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.699 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -79.02 121.98 25.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.831 0.348 . . . . 0.0 110.513 -177.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.55 129.77 34.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.092 0.472 . . . . 0.0 110.042 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 mm -101.43 147.46 8.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.868 -172.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 41' ' ' SER . 24.3 t -94.48 158.62 15.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.575 ' HE1' ' HB3' ' A' ' 21' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.563 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 29' ' ' SER . 9.0 m . . . . . 0 N--CA 1.444 -0.757 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 70.88 -55.29 0.65 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.316 0.647 . . . . 0.0 111.613 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -84.7 -4.99 59.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.957 0.408 . . . . 0.0 111.014 -178.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.726 ' HB2' HG12 ' A' ' 59' ' ' ILE . 13.2 tp -137.8 143.98 42.4 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD2' ' HG ' ' A' ' 44' ' ' LEU . 37.7 Cg_exo -63.21 -169.57 0.09 OUTLIER 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 123.248 2.632 . . . . 0.0 113.767 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -81.87 18.61 1.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.651 -176.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 p -65.4 158.08 27.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 111.481 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -74.92 104.64 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.334 0.588 . . . . 0.0 112.455 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.46 ' CE2' HD23 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -122.97 170.49 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.534 167.308 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -127.56 -52.98 1.36 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.4 p -112.55 164.09 13.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.356 -171.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.53 -40.62 80.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.65 -46.45 85.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.14 0.495 . . . . 0.0 109.726 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.08 -45.95 92.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.561 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 59' ' ' ILE . 2.7 tm? -56.79 -48.36 78.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.889 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -57.2 -49.89 74.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.511 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.41 HH21 ' CD ' ' A' ' 6' ' ' GLU . 97.5 mtt180 -67.77 -37.91 82.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 -179.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.3 92.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.115 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.726 HG12 ' HB2' ' A' ' 44' ' ' LEU . 51.7 mt -63.03 -49.84 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.652 0.263 . . . . 0.0 110.631 178.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.426 HG21 ' O ' ' A' ' 8' ' ' PHE . 70.2 mt -64.81 -39.55 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.225 0.536 . . . . 0.0 110.779 -178.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -66.76 -30.1 70.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.731 -177.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -100.46 -21.06 15.49 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -171.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.7 p -103.04 156.52 17.63 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.946 0.403 . . . . 0.0 111.119 -177.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.5 m -90.66 -30.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.126 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.85 -35.16 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.648 -176.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.418 ' HB3' HG12 ' A' ' 60' ' ' ILE . 76.4 m-85 -86.34 -21.68 27.11 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.155 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.402 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 32.7 t . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 174.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.1 m . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -129.98 136.33 49.31 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.566 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 75.6 t60 -100.32 125.67 46.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -114.13 142.16 46.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.985 0.421 . . . . 0.0 110.299 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.654 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 7.6 tp10 -155.76 145.47 21.2 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.79 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.8 t -123.27 120.05 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.438 ' HE2' ' HB2' ' A' ' 61' ' ' ARG . 10.0 t80 -128.56 111.2 12.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.41 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 9.2 mm-40 57.0 30.74 18.68 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.823 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.32 -8.17 69.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.345 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.5 147.23 18.55 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' A' ' 24' ' ' ASN . 15.7 m -102.76 139.04 38.85 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.043 -176.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.654 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 58.4 mt -108.49 120.12 59.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 173.101 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -117.24 104.62 11.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.82 -176.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.566 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 65.2 mt -116.24 122.54 69.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 O-C-N 122.064 -0.398 . . . . 0.0 111.344 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.696 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 1.7 mp0 -102.11 125.46 48.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 t70 62.5 14.31 6.89 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.339 0.59 . . . . 0.0 111.317 173.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 66.92 9.63 6.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.165 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -119.89 -47.41 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.688 -174.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.696 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 22.3 t -78.75 124.96 28.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.807 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -108.52 116.83 32.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.152 0.501 . . . . 0.0 110.81 -175.84 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 137.55 42.63 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.728 172.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.6 mt -116.81 108.42 24.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.434 ' HA ' ' HB ' ' A' ' 12' ' ' THR . 61.6 t30 62.34 28.04 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.35 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.77 2.14 69.93 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.517 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -103.07 123.14 46.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.81 128.69 37.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.599 ' HB ' HD12 ' A' ' 21' ' ' LEU . 44.8 mm -108.59 132.85 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 -176.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 m -95.54 115.49 27.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.19 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.807 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 56.5 m-85 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.967 173.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 44' ' ' LEU . 4.0 m . . . . . 0 N--CA 1.444 -0.774 0 CA-C-O 120.466 0.174 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.501 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -68.55 -47.93 65.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.093 0.473 . . . . 0.0 110.915 -176.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -86.66 17.45 3.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.121 -176.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 41' ' ' SER . 16.5 tp -140.66 143.97 34.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.498 ' HD2' HD12 ' A' ' 44' ' ' LEU . 38.6 Cg_endo -68.58 -179.15 2.22 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.499 2.133 . . . . 0.0 112.613 177.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -84.5 43.8 0.99 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.159 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -76.93 171.07 15.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.314 179.637 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.411 ' H ' HG22 ' A' ' 47' ' ' THR . 7.4 pt20 -101.97 113.44 26.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.31 0.576 . . . . 0.0 109.907 178.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -120.68 -173.23 2.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.002 -175.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -115.45 -67.46 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -173.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.469 ' H ' ' HB3' ' A' ' 54' ' ' ASP . 2.6 p -134.09 -176.55 4.23 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -169.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.96 -43.45 62.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -174.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -64.87 -37.86 89.05 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 177.583 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.469 ' HB3' ' H ' ' A' ' 51' ' ' SER . 19.2 t70 -62.08 -44.62 96.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.422 174.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.8 mt -57.83 -51.28 70.24 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.525 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 60' ' ' ILE . . . -57.1 -47.03 82.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.17 -177.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -66.93 -32.6 73.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.185 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.16 -36.77 72.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.187 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.6 mt -68.72 -44.87 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.683 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 56' ' ' ALA . 70.4 mt -68.44 -43.42 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -175.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.438 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 5.0 ttp180 -71.96 -43.26 65.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -169.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.65 14.92 13.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -171.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.8 p -126.18 170.73 11.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.12 -6.14 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.609 0.718 . . . . 0.0 109.754 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -87.84 0.78 55.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.246 -173.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -126.52 16.4 7.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.324 -0.524 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.109 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -89.03 106.47 18.46 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.712 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -98.67 126.18 44.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.219 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.518 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 2.5 m -129.63 141.37 50.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.773 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -159.22 161.64 36.11 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.174 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.1 t -112.71 127.23 70.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.796 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.402 ' HE2' ' HB2' ' A' ' 61' ' ' ARG . 39.4 t80 -118.12 107.41 13.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 55.04 20.56 3.29 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.095 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.32 -29.46 6.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.377 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.96 135.04 13.98 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.895 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 m -96.42 124.85 40.55 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.992 0.425 . . . . 0.0 111.44 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 5' ' ' THR . 71.2 mt -98.77 120.26 47.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.545 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -112.4 124.36 52.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.737 176.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.8 mt -110.32 120.0 60.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.216 0.532 . . . . 0.0 110.604 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.888 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 34.3 mm-40 -111.98 124.87 53.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.137 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.468 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 34.1 t70 57.34 23.92 9.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.568 173.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.468 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 13.9 t70 73.48 -24.7 0.2 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.104 177.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 p -103.64 -37.93 7.32 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.888 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 7.7 t -78.51 114.99 17.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.115 0.483 . . . . 0.0 110.349 -177.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -103.52 118.22 36.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.411 179.336 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 1.2 p -126.59 120.27 29.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.016 0.436 . . . . 0.0 111.066 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.4 HD11 ' HB1' ' A' ' 56' ' ' ALA . 83.1 mt -112.54 116.41 52.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 56.31 23.01 6.77 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.971 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.48 -0.74 58.36 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.123 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 22' ' ' THR . 14.1 mptt -95.43 138.87 32.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.006 0.403 . . . . 0.0 110.647 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -87.99 115.07 25.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.476 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.425 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 47.0 mm -102.96 135.88 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.336 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -136.65 158.65 43.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.19 -175.577 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.437 -1.091 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -71.86 5.08 2.79 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.307 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.52 ' HB2' HD22 ' A' ' 44' ' ' LEU . 62.0 m-85 -97.42 -28.25 14.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.266 -178.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.52 HD22 ' HB2' ' A' ' 43' ' ' TYR . 2.8 mm? -115.94 88.05 20.39 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.077 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.12 139.69 61.99 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.619 2.212 . . . . 0.0 112.374 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 69.05 7.79 6.45 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.652 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.4 p 54.93 133.96 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.843 1.257 . . . . 0.0 113.531 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.449 ' HG2' ' HB3' ' A' ' 44' ' ' LEU . 10.4 pt20 -152.35 31.68 0.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.055 -176.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -134.53 156.41 48.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.065 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -84.74 -57.39 3.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.678 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.404 ' H ' ' HB2' ' A' ' 54' ' ' ASP . 8.4 t -142.47 -164.61 1.86 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.47 -51.01 70.46 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -173.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.98 -40.71 94.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.202 0.525 . . . . 0.0 110.181 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.404 ' HB2' ' H ' ' A' ' 51' ' ' SER . 18.5 m-20 -68.64 -32.25 71.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.575 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 59' ' ' ILE . 8.3 tt -56.84 -45.89 82.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.988 177.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.4 ' HB1' HD11 ' A' ' 23' ' ' ILE . . . -62.4 -43.17 99.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.935 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.81 -34.92 76.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.127 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.23 -38.06 87.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 55' ' ' LEU . 66.2 mt -62.77 -50.28 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.352 178.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.4 mt -59.92 -40.01 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.431 -176.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.402 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 27.7 ttt180 -79.36 -36.63 39.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -85.09 -25.9 27.26 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.468 -0.493 . . . . 0.0 112.123 -171.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.9 p -112.97 122.19 46.91 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.343 0.592 . . . . 0.0 110.369 178.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.73 -28.36 41.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.879 -173.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.91 -28.49 68.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.282 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -82.82 -4.22 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.872 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 172.858 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m 67.32 12.66 9.04 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.077 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -130.92 142.94 50.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.876 0.37 . . . . 0.0 110.489 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.405 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 60.1 t60 -112.94 118.77 35.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.366 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -101.16 141.5 33.96 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 174.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -155.97 139.4 15.81 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.4 t -113.49 113.31 43.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.089 0.471 . . . . 0.0 110.264 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -110.33 105.2 14.13 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 51.06 27.57 3.4 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.601 0.761 . . . . 0.0 112.992 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.84 -13.77 22.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.88 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.03 130.99 10.41 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.766 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.1 m -90.49 128.99 36.7 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.976 0.417 . . . . 0.0 110.927 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.2 mt -97.78 120.47 47.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.686 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -107.39 110.85 22.93 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.943 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.405 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 71.5 mt -114.58 119.26 61.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 172.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -119.63 140.35 50.75 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 120.755 0.312 . . . . 0.0 111.037 -173.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.4 t0 60.31 30.25 19.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.501 0.667 . . . . 0.0 110.32 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.12 19.62 10.16 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.981 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.4 -163.73 1.81 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.6 t 65.25 103.8 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.023 0.44 . . . . 0.0 111.91 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.579 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -90.67 115.64 27.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.337 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.35 140.23 44.9 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.083 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.7 mt -128.18 117.52 45.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 67.12 15.48 10.08 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.941 0.877 . . . . 0.0 109.819 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.41 -10.82 65.21 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.31 -176.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -84.66 129.23 34.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.311 . . . . 0.0 110.755 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.32 124.83 23.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.296 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.5 ' HB ' HD12 ' A' ' 21' ' ' LEU . 49.7 mm -103.81 101.71 12.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.156 0.503 . . . . 0.0 110.021 177.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -83.49 108.56 16.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.663 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -77.05 149.56 35.8 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 121.164 0.507 . . . . 0.0 110.497 176.473 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.589 HG11 ' HB3' ' A' ' 39' ' ' TRP . 39.9 t -129.04 115.47 36.5 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 171.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -85.13 159.76 20.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.933 -171.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -93.82 16.11 14.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.621 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.21 -173.55 1.35 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.333 -170.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.4 t -71.37 -32.57 47.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.992 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -62.58 -39.43 93.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.205 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -151.41 132.23 14.12 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.683 -173.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -109.28 87.56 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.009 0.433 . . . . 0.0 109.9 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.589 ' HB3' HG11 ' A' ' 31' ' ' VAL . 58.0 t-105 -162.7 165.43 25.65 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.44 ' C ' ' HB ' ' A' ' 31' ' ' VAL . 6.3 m -101.86 164.72 11.58 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.0 m -56.79 138.94 52.46 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.782 0.325 . . . . 0.0 110.453 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -62.48 -28.17 69.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.95 -172.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -86.2 -22.66 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.529 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.493 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 56.8 mt -130.79 84.7 57.77 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.089 0.471 . . . . 0.0 110.145 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.86 128.7 5.98 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 123.203 2.602 . . . . 0.0 113.128 -174.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 67.4 12.88 9.14 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.238 173.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' ' 44' ' ' LEU . 20.5 p -98.87 144.22 28.31 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -102.66 123.87 47.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.118 0.485 . . . . 0.0 111.342 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.84 168.29 12.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.733 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -94.69 -60.2 1.76 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.005 0.431 . . . . 0.0 111.788 -173.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -130.56 179.4 5.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.338 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 52' ' ' LEU . 1.2 tm? -72.89 -46.46 52.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.084 -175.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.89 -41.82 97.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.28 -43.76 88.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.764 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.554 ' O ' HG13 ' A' ' 59' ' ' ILE . 46.4 tp -56.57 -51.25 69.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.609 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.0 80.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.3 -177.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -71.53 -34.37 69.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.19 81.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.753 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 55' ' ' LEU . 71.9 mt -63.05 -50.53 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.69 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.23 -39.33 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.364 0.602 . . . . 0.0 110.664 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -67.54 -34.07 76.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.808 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -92.87 -25.25 18.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -171.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.468 ' HB ' ' OE1' ' A' ' 65' ' ' GLU . 46.6 p -118.47 122.64 43.23 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.062 0.458 . . . . 0.0 111.27 -178.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -75.4 -9.47 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.042 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.468 ' OE1' ' HB ' ' A' ' 63' ' ' THR . 22.7 mp0 -57.57 -37.47 73.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.038 177.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -92.55 -4.12 54.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.132 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -76.19 -40.2 52.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 110.132 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.53 -104.01 1.02 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.926 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.65 88.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.901 0.381 . . . . 0.0 111.973 -174.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -176.72 106.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.459 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -98.15 -19.74 17.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.341 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.58 -151.75 13.09 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.494 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.253 1.245 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.649 177.07 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 p -66.48 105.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.25 0.548 . . . . 0.0 111.455 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 53.6 p-80 -130.25 114.16 15.31 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.872 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.498 ' HB3' HD12 ' A' ' 15' ' ' ILE . 61.3 t60 -104.36 118.21 36.07 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.238 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -130.61 124.1 30.97 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.54 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -156.25 171.3 20.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.51 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.8 t -121.67 121.01 63.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.522 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -111.48 105.75 14.44 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 50.54 33.05 7.36 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 111.783 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.485 ' HA3' ' HB ' ' A' ' 69' ' ' VAL . . . 105.72 -28.29 14.67 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.36 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.83 119.38 5.99 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.442 -0.885 . . . . 0.0 111.602 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -91.91 125.6 36.67 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 120.683 0.278 . . . . 0.0 110.267 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 5' ' ' THR . 63.8 mt -98.09 119.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.14 102.54 10.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.719 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.498 HD12 ' HB3' ' A' ' 4' ' ' HIS . 62.5 mt -112.62 120.12 62.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.914 0.388 . . . . 0.0 110.688 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.763 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 31.0 mt-10 -109.06 128.33 54.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.007 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.1 t70 60.52 20.19 9.97 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.907 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t70 61.07 17.67 8.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.934 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 p -131.96 -39.83 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.603 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.763 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 3.0 t -76.77 106.3 8.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.6 tp -104.61 116.35 31.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.207 0.527 . . . . 0.0 111.363 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.461 HG22 ' HA ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -135.16 141.62 45.96 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.066 176.189 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.5 113.3 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.558 0.218 . . . . 0.0 110.47 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.7 t30 61.94 29.94 17.93 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.528 0.68 . . . . 0.0 110.786 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.93 -11.1 69.96 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.626 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.62 128.48 41.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.949 0.374 . . . . 0.0 110.065 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HA ' HG22 ' A' ' 22' ' ' THR . 27.6 tt0 -78.95 125.24 29.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.146 0.498 . . . . 0.0 110.355 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.4 mm -88.27 104.46 14.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.487 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.602 ' H ' ' HE2' ' A' ' 43' ' ' TYR . 33.5 m -60.53 100.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.521 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.454 ' HD1' ' HB3' ' A' ' 41' ' ' SER . 24.4 t80 -131.75 -176.7 4.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG21 ' HA ' ' A' ' 38' ' ' LYS . 23.3 t -78.0 87.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 173.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.66 12.7 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.142 0.496 . . . . 0.0 110.492 -177.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -173.19 149.51 1.81 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.065 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 57.12 91.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.255 0.972 . . . . 0.0 111.472 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.2 t -62.19 -24.08 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.604 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.45 -21.27 66.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.121 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -95.34 52.06 1.37 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.772 0.32 . . . . 0.0 110.535 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.562 ' HA ' HG21 ' A' ' 31' ' ' VAL . 1.9 tmtp? -74.9 93.77 2.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.96 0.41 . . . . 0.0 111.0 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -109.58 2.08 20.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.883 174.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.7 m 64.91 -166.72 0.22 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.66 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.454 ' HB3' ' HD1' ' A' ' 30' ' ' TYR . 10.0 p -83.28 123.11 29.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.656 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -87.35 61.11 6.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.384 0.612 . . . . 0.0 110.729 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.602 ' HE2' ' H ' ' A' ' 29' ' ' SER . 67.7 m-85 -139.51 -62.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.129 175.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.483 ' HG ' ' HD2' ' A' ' 45' ' ' PRO . 13.0 tp -74.74 144.68 80.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.242 -0.89 . . . . 0.0 108.935 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.483 ' HD2' ' HG ' ' A' ' 44' ' ' LEU . 36.3 Cg_endo -65.62 -169.39 0.14 Allowed 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.411 2.074 . . . . 0.0 112.564 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -79.96 48.59 0.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.058 0.456 . . . . 0.0 111.56 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.02 171.01 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.466 174.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -82.95 95.49 8.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.339 0.59 . . . . 0.0 111.385 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.478 ' CE2' HD23 ' A' ' 44' ' ' LEU . 47.4 p90 -154.4 161.15 41.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.65 174.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -158.21 -25.96 0.08 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.342 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.4 m -83.86 145.82 28.43 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.327 -0.233 . . . . 0.0 110.942 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.78 -50.43 66.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 53' ' ' LEU . 4.1 mm? -69.14 -31.01 69.38 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.95 0.405 . . . . 0.0 110.654 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -66.39 -48.71 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.463 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.46 -46.55 83.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.658 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 -46.43 81.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -71.41 -39.13 71.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.309 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.72 94.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.215 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.0 mt -64.16 -48.75 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.888 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.95 -39.54 82.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.876 0.369 . . . . 0.0 110.928 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -75.57 -28.1 58.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.849 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -94.47 -25.26 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.87 -0.519 . . . . 0.0 111.96 -175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.9 p -127.59 122.39 33.05 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.099 0.476 . . . . 0.0 111.183 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 m -75.32 -4.5 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.384 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.79 -20.08 63.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.207 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -114.54 6.31 15.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -173.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 p -96.39 96.96 9.08 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.488 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.66 68.02 0.49 Allowed Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.485 ' HB ' ' HA3' ' A' ' 10' ' ' GLY . 12.3 p -82.68 -20.9 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.988 0.423 . . . . 0.0 110.88 -176.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.2 tttt 65.31 -78.24 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.085 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 65.31 -67.48 0.13 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.711 0.804 . . . . 0.0 111.35 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -174.89 -67.87 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.979 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 119.197 -0.43 . . . . 0.0 109.909 178.571 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.595 ' HB3' ' HB2' ' A' ' 17' ' ' ASP . 69.9 mtm . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 4.1 m -69.17 118.01 11.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.898 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 49.7 t-80 -105.27 126.4 52.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.126 0.489 . . . . 0.0 110.962 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.524 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 45.2 t60 -111.94 133.72 53.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.59 175.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.07 134.95 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.108 0.255 . . . . 0.0 110.861 178.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -159.31 156.79 29.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.714 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.1 t -107.52 128.21 62.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.001 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -119.1 106.9 12.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.31 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 48.58 36.38 7.48 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.206 0.603 . . . . 0.0 112.22 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.96 -12.98 41.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.289 -0.958 . . . . 0.0 113.19 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.26 159.69 19.31 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.71 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.6 m -116.8 128.04 54.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 117.203 0.502 . . . . 0.0 110.523 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.423 HG22 HG13 ' A' ' 15' ' ' ILE . 68.7 mt -106.16 120.04 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.07 -178.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -112.07 113.96 26.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.007 173.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.524 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 49.9 mt -118.38 124.39 73.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.314 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.862 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 29.3 mt-10 -123.36 116.9 24.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.184 0.516 . . . . 0.0 111.064 172.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.595 ' HB2' ' HB3' ' A' ' 1' ' ' MET . 25.6 t70 46.95 49.98 14.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.271 174.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 11.6 t70 75.32 -52.62 0.66 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 172.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -89.19 -34.15 16.77 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -168.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.862 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 8.3 t -76.52 108.22 9.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD2' HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -127.51 122.62 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -176.146 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.21 120.94 19.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.928 0.394 . . . . 0.0 110.916 175.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.8 mt -106.07 108.95 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.094 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 63.65 19.63 11.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.1 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -9.11 55.61 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.613 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.99 124.45 31.7 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.574 -0.368 . . . . 0.0 110.163 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.57 112.11 5.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.488 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.44 ' HB ' HD12 ' A' ' 21' ' ' LEU . 45.1 mm -100.91 93.55 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.24 0.543 . . . . 0.0 109.823 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -88.33 121.79 31.12 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.958 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.512 ' HE1' HD22 ' A' ' 55' ' ' LEU . 73.9 m-85 -91.38 161.55 14.96 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 p -108.15 102.69 14.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-O 121.637 0.732 . . . . 0.0 109.499 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -87.91 36.14 0.76 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.167 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -127.09 147.22 50.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.324 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.55 29.36 0.85 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.238 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.6 t -72.01 -55.72 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -88.05 -67.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.355 0.597 . . . . 0.0 110.064 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -132.81 150.65 52.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.376 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 38' ' ' LYS . 35.2 ttpt -116.6 97.18 5.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.022 0.439 . . . . 0.0 110.345 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.405 ' HD1' ' O ' ' A' ' 40' ' ' SER . 47.6 p90 -102.63 178.67 4.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.733 176.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.405 ' O ' ' HD1' ' A' ' 39' ' ' TRP . 12.0 m -99.52 -172.83 2.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.467 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.93 138.22 43.83 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -55.57 -30.75 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -88.29 -0.7 57.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.454 HD23 ' HG ' ' A' ' 55' ' ' LEU . 20.9 tp -156.08 86.92 3.05 Favored Pre-proline 0 N--CA 1.465 0.284 0 CA-C-O 120.716 0.293 . . . . 0.0 110.852 -177.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.47 101.52 1.47 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.322 2.014 . . . . 0.0 113.88 -176.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.4 p90 42.29 59.28 2.72 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.75 1.22 . . . . 0.0 114.077 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.553 HG22 ' H ' ' A' ' 48' ' ' GLN . 2.7 m -88.86 177.23 6.75 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 171.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.553 ' H ' HG22 ' A' ' 47' ' ' THR . 62.1 tt0 -76.08 93.21 3.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.211 0.529 . . . . 0.0 110.571 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -129.13 152.84 48.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.534 174.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.59 -43.01 23.76 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.4 -177.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.463 ' H ' ' HB3' ' A' ' 54' ' ' ASP . 5.2 p -170.73 -166.21 0.48 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.471 -174.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.02 -48.66 79.3 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.82 -41.32 95.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.251 0.548 . . . . 0.0 110.119 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.545 ' HA ' HH11 ' A' ' 57' ' ' ARG . 24.1 t70 -71.03 -35.9 72.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.497 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.512 HD22 ' HE1' ' A' ' 30' ' ' TYR . 9.2 tt -62.24 -46.62 88.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.978 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.7 -40.65 76.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.463 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.545 HH11 ' HA ' ' A' ' 54' ' ' ASP . 18.8 mtp-105 -67.27 -40.17 86.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.034 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.66 -38.3 87.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.166 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.0 -40.9 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.785 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.5 mt -69.68 -46.56 74.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -174.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -81.9 -36.53 28.02 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.573 -171.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.91 6.25 22.39 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.533 -0.467 . . . . 0.0 112.124 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.9 p -114.43 176.63 4.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.4 p -113.49 -30.73 2.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.901 0.381 . . . . 0.0 111.163 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -85.73 -22.18 27.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -173.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -79.25 -9.95 59.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 111.328 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.5 t -101.18 119.1 38.24 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.76 -56.51 1.51 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.441 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.6 p -115.48 105.98 19.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.514 0.673 . . . . 0.0 111.366 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -96.59 -174.3 2.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.619 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 74.51 -54.47 0.67 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.753 0.821 . . . . 0.0 110.981 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -83.67 -1.67 90.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.058 -0.591 . . . . 0.0 112.214 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 C--O 1.243 0.754 0 CA-C-O 118.645 -0.693 . . . . 0.0 109.559 177.755 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ttt . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 53.0 p -61.62 -39.53 91.61 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.715 0.293 . . . . 0.0 111.511 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -111.9 140.05 46.88 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.574 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 74.6 t60 -135.53 123.5 22.73 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 -177.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 2.6 m -126.78 140.96 51.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.332 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -159.98 161.88 34.21 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.2 126.14 75.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.92 0.39 . . . . 0.0 110.582 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.486 ' O ' HG21 ' A' ' 60' ' ' ILE . 37.4 t80 -120.96 110.95 16.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.002 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 54.13 30.63 12.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.85 0.29 56.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.183 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.38 135.92 13.19 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.929 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 23' ' ' ILE . 31.6 m -98.93 128.45 45.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.787 0.294 . . . . 0.0 110.953 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 5' ' ' THR . 72.7 mt -98.52 120.27 47.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.244 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -109.13 108.32 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.929 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 53.8 mt -113.29 122.14 66.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 176.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -124.96 123.6 40.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.36 . . . . 0.0 111.178 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 t70 56.74 35.72 26.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.67 171.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 74.66 -32.44 0.23 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 173.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -95.85 -43.03 8.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 t -71.12 116.7 11.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -176.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.629 ' HG ' ' CE1' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -122.54 116.28 23.63 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 177.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.28 141.32 45.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.414 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 12' ' ' THR . 77.7 mt -125.32 113.13 33.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 62.75 22.42 13.36 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.967 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.57 5.53 71.75 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.574 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -101.27 127.24 47.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.76 122.99 18.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.973 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.604 ' HB ' HD12 ' A' ' 21' ' ' LEU . 48.5 mm -97.7 107.64 20.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.057 177.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -73.93 100.93 3.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.365 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.629 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 5.8 m-85 -84.21 172.13 12.15 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.206 0.527 . . . . 0.0 109.958 174.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.596 ' HB ' ' HA ' ' A' ' 40' ' ' SER . 2.7 p -84.41 85.89 2.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-O 121.816 0.817 . . . . 0.0 109.648 175.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -82.43 87.46 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.747 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.0 t70 60.42 13.13 3.87 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.726 176.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 64.2 18.42 11.26 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.316 0.646 . . . . 0.0 111.174 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 66.0 t -96.07 -42.87 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.325 0.583 . . . . 0.0 110.235 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -102.04 10.75 39.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.118 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -163.27 178.57 8.07 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HB3' ' CE3' ' A' ' 39' ' ' TRP . 13.0 mptt -92.54 -161.58 0.85 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.419 ' CE3' ' HB3' ' A' ' 38' ' ' LYS . 49.5 p90 -44.74 -38.58 4.54 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -174.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.596 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 28.6 p -157.06 -178.74 7.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.938 0.399 . . . . 0.0 110.754 174.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -61.97 123.13 17.22 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.629 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -78.31 45.06 0.53 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 112.183 -172.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -123.88 -16.11 6.72 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.0 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -112.51 152.11 44.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.685 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.472 ' O ' ' HB2' ' A' ' 46' ' ' TYR . 12.8 Cg_exo -70.0 64.93 1.94 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.172 2.582 . . . . 0.0 111.683 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.472 ' HB2' ' O ' ' A' ' 45' ' ' PRO . 20.5 m-85 73.74 -53.86 0.69 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.927 0.891 . . . . 0.0 110.598 -176.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -142.61 146.25 34.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.682 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -170.13 23.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -169.66 165.26 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.136 -170.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -115.91 -48.6 2.74 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 172.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.0 m -96.9 160.79 14.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.998 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -73.18 -29.93 63.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.304 -176.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -68.01 -42.04 81.27 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.018 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.91 -31.18 72.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.824 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 59' ' ' ILE . 6.9 tt -53.67 -48.96 68.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.998 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.51 95.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.377 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -70.95 -36.83 72.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.26 85.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.789 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 55' ' ' LEU . 77.0 mt -62.2 -50.95 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.296 178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.486 HG21 ' O ' ' A' ' 8' ' ' PHE . 64.7 mt -60.75 -39.53 82.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.209 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -69.98 -43.61 71.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.652 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -25.67 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -172.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.1 p -107.74 94.02 4.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.715 0.769 . . . . 0.0 109.392 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.443 HG12 ' HE2' ' A' ' 70' ' ' LYS . 5.5 t -69.42 -6.02 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.099 -172.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -72.68 -13.49 61.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.27 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -96.98 7.97 45.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.864 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 t -95.79 108.59 20.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.3 -28.39 64.05 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.651 -177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.1 p -135.46 119.07 24.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.387 0.613 . . . . 0.0 110.178 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.443 ' HE2' HG12 ' A' ' 64' ' ' VAL . 97.1 mttt -94.28 83.66 4.26 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.328 0.585 . . . . 0.0 110.553 -177.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -146.29 90.78 1.98 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.858 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.77 -76.42 1.12 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 171.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 C--O 1.248 1.018 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 173.375 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 mmt . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 120.516 0.198 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.6 p -71.03 -40.97 71.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.713 0.768 . . . . 0.0 109.273 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.43 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . 8.5 p-80 -112.83 130.33 56.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.367 171.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.459 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.5 t60 -98.45 117.82 33.73 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.886 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.67 137.07 35.25 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.73 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 6.3 tp10 -147.32 153.81 40.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 11' ' ' GLY . 95.9 t -122.53 113.36 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.88 0.371 . . . . 0.0 110.277 175.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.453 ' HB3' HD12 ' A' ' 60' ' ' ILE . 82.8 t80 -110.99 107.35 16.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.12 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 56.65 23.98 8.37 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.561 0.538 . . . . 0.0 111.729 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.84 -18.0 24.68 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.628 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 7' ' ' VAL . . . -86.76 149.15 22.19 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.171 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.8 m -100.77 116.44 32.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.09 0.471 . . . . 0.0 111.051 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.73 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 69.6 mt -98.83 121.4 49.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.509 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -116.02 103.46 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.513 HG13 HG22 ' A' ' 13' ' ' ILE . 63.9 mt -109.81 119.71 59.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.779 0.323 . . . . 0.0 110.799 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.633 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 43.7 mt-10 -111.52 123.4 50.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.842 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t70 58.08 22.93 9.5 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.524 0.515 . . . . 0.0 110.649 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 45.04 29.34 0.47 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.349 1.06 . . . . 0.0 112.506 -174.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 p -137.45 -52.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.815 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.633 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 37.3 m -67.49 115.66 7.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.749 172.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.823 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -120.11 126.64 51.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.277 0.56 . . . . 0.0 111.823 -173.744 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.11 141.67 44.19 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.032 174.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.53 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 55.9 mt -127.64 118.57 49.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 m120 57.07 21.06 6.0 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.17 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.8 -5.75 43.47 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.716 175.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 15.6 ptpt -108.64 147.83 31.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.761 0.78 . . . . 0.0 110.865 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.51 133.95 43.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.169 -171.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.823 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 50.8 mm -105.93 142.12 19.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.105 177.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -128.47 120.36 26.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.847 0.356 . . . . 0.0 110.615 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 55' ' ' LEU . 21.0 m-85 -101.58 169.71 8.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.41 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.737 ' HB ' ' HA ' ' A' ' 40' ' ' SER . 3.7 p -76.57 109.27 10.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 168.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -128.42 127.48 42.63 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.438 -171.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.52 ' OD1' ' HD2' ' A' ' 36' ' ' LYS . 6.7 m-20 61.65 -160.85 0.3 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.499 177.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.28 19.21 4.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.456 0.646 . . . . 0.0 109.465 173.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.2 t -129.95 -61.68 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.166 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HD2' ' OD1' ' A' ' 33' ' ' ASP . 88.8 mttt -54.83 -50.76 67.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.746 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 31' ' ' VAL . 7.8 t-20 -135.52 140.96 45.16 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.618 -177.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 39' ' ' TRP . 87.8 mttt -126.94 160.51 30.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 173.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.4 ' HB3' ' O ' ' A' ' 38' ' ' LYS . 65.3 t-105 75.21 133.99 0.05 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.276 0.985 . . . . 0.0 109.788 -172.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.737 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 16.9 m -63.72 168.86 4.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.027 -174.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -51.06 106.3 0.13 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.637 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -63.47 -24.34 67.78 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.159 -172.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -67.91 -22.25 65.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.115 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.412 HD21 HG12 ' A' ' 59' ' ' ILE . 3.0 mm? -118.66 156.94 51.04 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.232 -178.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.464 ' HG2' ' OG1' ' A' ' 47' ' ' THR . 60.4 Cg_endo -75.67 -178.03 4.01 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.175 1.917 . . . . 0.0 111.625 172.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -82.54 52.46 2.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.394 0.616 . . . . 0.0 111.627 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.464 ' OG1' ' HG2' ' A' ' 45' ' ' PRO . 0.2 OUTLIER -83.48 169.16 15.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.695 174.805 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -86.18 91.77 8.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.33 0.586 . . . . 0.0 111.765 -177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.502 ' CD1' HD21 ' A' ' 55' ' ' LEU . 9.8 p90 -123.65 167.8 13.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.052 171.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -156.88 -35.75 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.678 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.8 m -88.4 139.77 30.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.805 0.336 . . . . 0.0 111.435 -174.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.58 -37.11 84.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.667 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 tm? -63.78 -39.57 94.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.572 ' HA ' ' HE ' ' A' ' 57' ' ' ARG . 31.4 t70 -64.53 -42.81 95.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.768 178.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 1.7 mm? -55.11 -47.34 75.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.281 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.45 -39.03 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.143 0.497 . . . . 0.0 111.185 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HE ' ' HA ' ' A' ' 54' ' ' ASP . 47.7 mtm180 -71.54 -43.87 65.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.091 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.5 -37.76 79.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.018 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 55' ' ' LEU . 75.5 mt -62.85 -50.18 80.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.996 178.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 8' ' ' PHE . 64.7 mt -68.44 -38.54 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.978 0.418 . . . . 0.0 110.886 -177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -72.07 -36.49 69.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.839 -175.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -93.33 -25.74 17.6 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -170.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.51 130.07 34.06 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.525 0.679 . . . . 0.0 110.666 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -99.44 -4.18 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.335 -169.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.04 -5.04 15.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.24 0.543 . . . . 0.0 110.814 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -92.67 -9.17 41.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.2 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m -79.83 90.16 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.203 0.525 . . . . 0.0 110.687 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -120.19 95.81 0.6 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.041 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.5 t -94.24 120.26 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.846 0.355 . . . . 0.0 110.356 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -93.59 -59.72 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -128.73 143.6 50.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.475 168.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.7 -134.05 1.78 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.939 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.552 179.071 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 120.699 0.285 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 m -70.68 -32.24 69.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.085 0.469 . . . . 0.0 110.807 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -109.97 143.88 39.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.575 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.5 t60 -123.29 126.22 46.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.871 0.367 . . . . 0.0 110.988 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -97.74 141.2 31.04 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 170.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.984 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 10.7 tp10 -146.3 143.58 29.24 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -174.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.3 t -123.35 118.2 53.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -116.63 107.03 14.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 57.31 18.62 4.44 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.217 0.607 . . . . 0.0 111.912 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.98 -16.99 22.72 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.481 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.3 141.75 24.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.914 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -91.5 116.5 28.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.597 0.237 . . . . 0.0 110.793 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.984 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.2 mt -101.26 119.42 49.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.874 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -108.47 104.77 14.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.552 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.575 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 56.7 mt -110.86 126.9 68.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.167 0.508 . . . . 0.0 111.325 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.719 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 10.3 mm-40 -114.4 124.14 51.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.845 175.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 62.96 14.97 7.97 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.308 0.575 . . . . 0.0 111.133 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.532 ' HA ' ' CG2' ' A' ' 15' ' ' ILE . 12.9 t70 66.37 5.54 3.79 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.528 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -125.07 -42.35 2.03 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 122.192 -0.317 . . . . 0.0 111.713 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.719 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 17.3 m -64.63 114.35 4.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.767 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.99 115.54 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.027 0.442 . . . . 0.0 111.134 -172.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.98 139.11 42.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.98 170.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.5 mt -128.85 120.43 52.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 60.74 22.94 12.86 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.571 0.701 . . . . 0.0 110.492 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 -12.34 66.57 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.818 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -97.26 130.33 44.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.848 -0.207 . . . . 0.0 110.463 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -80.65 142.06 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 59' ' ' ILE . 49.5 mm -105.41 127.23 60.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.03 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.4 m -62.5 103.89 0.46 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.313 0.577 . . . . 0.0 110.338 174.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.1 175.22 5.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.516 -176.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 t -107.26 81.37 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.662 172.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -83.88 93.09 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.134 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.597 ' OD2' HG23 ' A' ' 35' ' ' VAL . 27.3 t70 71.05 165.02 0.28 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.652 -178.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -105.57 22.41 15.55 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -168.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.597 HG23 ' OD2' ' A' ' 33' ' ' ASP . 77.7 t -58.12 -56.84 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.155 0.502 . . . . 0.0 110.196 173.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -100.04 -42.35 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.111 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 t30 67.58 -75.3 0.06 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.256 0.972 . . . . 0.0 109.946 -175.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? 58.8 65.98 1.14 Allowed 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.581 0.551 . . . . 0.0 111.895 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.429 ' HD1' ' HG2' ' A' ' 42' ' ' ARG . 31.2 t-105 66.9 -178.19 0.21 Allowed 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.813 0.696 . . . . 0.0 110.189 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -98.56 173.61 6.85 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -54.41 107.9 0.32 Allowed 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 120.812 0.339 . . . . 0.0 110.104 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' HG2' ' HD1' ' A' ' 39' ' ' TRP . 56.9 mtp180 -67.83 -10.56 53.98 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -169.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -79.66 -12.27 59.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.91 HD11 HG12 ' A' ' 59' ' ' ILE . 5.3 mp -120.41 88.57 42.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.026 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.24 96.9 0.15 Allowed 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.904 2.403 . . . . 0.0 112.627 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.5 p90 43.47 56.88 4.15 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.288 1.035 . . . . 0.0 113.169 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.551 ' OG1' ' HB3' ' A' ' 44' ' ' LEU . 37.0 p -105.83 165.08 11.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.202 175.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -97.51 134.64 40.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.002 0.429 . . . . 0.0 110.943 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -158.89 176.09 12.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.271 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -143.4 -49.96 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -97.97 165.55 11.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.04 -171.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.3 tt -72.97 -46.27 53.28 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -67.79 -37.36 81.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.086 0.47 . . . . 0.0 110.309 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -60.31 -42.74 96.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.152 174.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.606 ' O ' HG13 ' A' ' 59' ' ' ILE . 50.3 tp -57.6 -50.39 73.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.718 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.77 -42.98 80.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.63 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -70.95 -34.64 71.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.801 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.15 77.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.91 HG12 HD11 ' A' ' 44' ' ' LEU . 71.2 mt -61.72 -49.92 82.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.5 178.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.14 -39.57 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.615 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -63.11 -32.62 74.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.042 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -92.79 -5.64 50.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 0.0 111.634 -173.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.3 p -126.41 138.91 53.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.378 0.609 . . . . 0.0 111.367 -178.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 p -90.98 -5.72 10.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.756 0.789 . . . . 0.0 109.537 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.3 -43.52 98.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.898 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -88.76 -31.71 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.052 0.453 . . . . 0.0 110.428 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.9 m -85.95 75.87 9.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.639 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.43 139.06 15.41 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.739 -177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.5 t -91.89 128.83 43.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -79.95 -55.89 4.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.662 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -165.3 130.55 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.052 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.4 73.79 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.773 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.7 m . . . . . 0 C--O 1.245 0.831 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.896 -179.329 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.937 0.399 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 6.7 p -95.45 145.46 25.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.889 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.579 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 1.7 m170 -122.45 105.25 9.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.238 0.542 . . . . 0.0 110.5 175.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.579 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 44.7 t-80 -103.75 120.7 41.48 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.442 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -119.51 128.86 54.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.806 -178.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -136.72 148.22 47.19 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.2 t -112.31 122.6 66.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.911 0.386 . . . . 0.0 110.312 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -115.88 105.29 12.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.581 177.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 51.24 27.11 3.31 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.161 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.63 -25.43 9.65 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.943 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.41 134.23 12.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.641 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -95.73 124.82 39.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.995 0.426 . . . . 0.0 111.476 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 5' ' ' THR . 74.8 mt -98.15 120.38 47.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.921 177.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.38 109.24 18.38 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.581 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 41.8 mt -109.8 127.34 66.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.592 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 14.0 tt0 -125.37 132.32 52.82 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.029 0.443 . . . . 0.0 110.995 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 1.3 t70 49.0 40.96 18.21 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.097 165.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 6.0 t70 74.97 -52.65 0.67 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 173.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -95.0 -21.96 18.25 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -168.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.592 ' HB2' ' HB3' ' A' ' 16' ' ' GLU . 19.3 m -93.42 105.7 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.112 0.482 . . . . 0.0 111.635 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.59 ' HB3' ' HE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -102.98 120.69 41.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.993 176.679 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p -129.6 141.75 50.89 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.002 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.1 mt -126.07 120.33 56.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 63.0 t30 64.19 12.61 7.23 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.332 0.587 . . . . 0.0 110.636 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.0 -35.15 4.17 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.061 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' NZ ' ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.21 147.89 25.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.009 0.404 . . . . 0.0 111.392 -175.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.8 144.41 52.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.161 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.416 ' CG1' HD12 ' A' ' 21' ' ' LEU . 36.8 mm -100.74 136.23 33.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 174.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 m -98.25 132.85 43.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.495 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.59 ' HE2' ' HB3' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -130.31 160.11 34.93 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -175.404 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG23 ' H ' ' A' ' 38' ' ' LYS . 3.2 p -76.81 84.62 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 122.181 0.991 . . . . 0.0 108.914 168.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.73 157.86 17.76 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.997 -172.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 t70 63.92 -173.82 0.17 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.665 0.603 . . . . 0.0 110.769 175.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -105.85 -29.35 10.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.033 0.444 . . . . 0.0 110.286 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -83.69 -33.82 9.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.492 0.663 . . . . 0.0 109.683 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -89.37 4.39 49.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.051 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -64.74 110.2 2.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.145 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HD2' ' HA ' ' A' ' 38' ' ' LYS . 22.6 tptt -103.43 -164.91 1.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.439 ' CE3' ' HG3' ' A' ' 38' ' ' LYS . 48.2 p90 -73.07 -46.05 53.85 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.553 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.0 m -164.22 178.48 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -73.77 133.64 43.31 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.039 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -77.77 72.34 4.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.493 0.663 . . . . 0.0 111.401 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -143.4 -63.9 0.39 Allowed 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.906 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 59' ' ' ILE . 7.2 mp -101.02 162.24 21.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.682 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 44' ' ' LEU . 40.5 Cg_endo -68.39 83.17 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.568 2.179 . . . . 0.0 112.359 177.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 70.89 -69.47 0.18 Allowed 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 124.225 1.01 . . . . 0.0 110.114 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 p 52.9 141.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.385 1.474 . . . . 0.0 113.964 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -95.49 106.17 18.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.787 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -136.68 143.4 43.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.223 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -126.09 -10.56 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.204 0.526 . . . . 0.0 110.746 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.427 ' HB3' ' CB ' ' A' ' 54' ' ' ASP . 41.3 t -112.03 138.5 48.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.192 176.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.525 HD21 HD23 ' A' ' 21' ' ' LEU . 10.1 tt -64.79 -40.97 96.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.925 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.65 -40.08 92.09 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.484 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.427 ' CB ' ' HB3' ' A' ' 51' ' ' SER . 38.8 t70 -64.98 -41.72 95.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.358 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.38 -50.79 71.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.268 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.98 92.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.66 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -69.56 -32.8 71.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.102 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.2 90.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.634 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.538 ' HA ' HD11 ' A' ' 44' ' ' LEU . 65.5 mt -62.64 -51.26 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.387 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.5 mt -60.28 -38.84 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.029 0.443 . . . . 0.0 111.167 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -63.56 -43.47 96.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.557 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.89 -19.03 21.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.5 p -113.35 93.93 4.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.819 0.818 . . . . 0.0 109.239 172.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.1 m -74.1 -9.44 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.542 -167.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -77.88 -1.5 32.02 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.738 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -78.42 -21.39 49.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.043 0.449 . . . . 0.0 110.36 173.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 m -81.67 96.37 7.5 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 173.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.76 -39.17 76.98 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.864 -0.607 . . . . 0.0 113.309 -174.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.4 t -95.2 98.7 8.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.918 0.389 . . . . 0.0 110.552 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -101.47 143.35 31.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.762 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -99.95 126.62 46.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.856 0.36 . . . . 0.0 110.335 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -74.34 131.4 13.32 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.623 177.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.4 m . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.78 -0.628 . . . . 0.0 110.297 179.808 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.0 ttp . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.861 0.362 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.96 -40.21 13.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.305 0.574 . . . . 0.0 109.751 175.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -116.51 136.17 53.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.436 -0.802 . . . . 0.0 108.919 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.548 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 80.3 t60 -98.86 116.97 32.29 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.25 123.83 38.97 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.643 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 5.1 tp10 -147.04 136.66 22.95 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.3 p -116.74 128.04 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.231 0.539 . . . . 0.0 110.659 177.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.478 ' O ' HG21 ' A' ' 60' ' ' ILE . 47.4 t80 -129.99 110.08 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.181 -178.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.592 ' HB3' ' HE2' ' A' ' 70' ' ' LYS . 18.4 mm-40 52.88 41.53 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.105 176.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.51 -13.95 56.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.756 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.17 132.99 11.53 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.347 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 m -88.95 131.44 35.15 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 120.972 0.415 . . . . 0.0 110.949 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.643 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.2 mt -98.44 119.39 46.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -114.63 102.77 10.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.087 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.548 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 66.2 mt -113.02 119.26 60.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -106.15 129.31 54.24 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.126 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.433 ' C ' ' H ' ' A' ' 19' ' ' THR . 35.2 t70 61.38 13.29 4.88 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 124.005 0.816 . . . . 0.0 111.922 169.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 64.77 -9.34 0.19 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.254 0.621 . . . . 0.0 111.791 -174.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.433 ' H ' ' C ' ' A' ' 17' ' ' ASP . 13.1 m -94.59 -33.72 12.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.894 0.378 . . . . 0.0 111.369 -174.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -101.64 148.48 25.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.377 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.402 HD12 ' HB ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -127.56 116.3 20.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.326 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.23 137.66 42.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.485 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.495 ' C ' ' H ' ' A' ' 25' ' ' GLY . 72.6 mt -114.29 114.13 45.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 71.04 -33.91 0.28 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.718 0.807 . . . . 0.0 111.269 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' A' ' 23' ' ' ILE . . . 159.15 -20.11 0.28 Allowed Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.242 -177.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 27' ' ' GLU . 10.5 tmtt? -79.19 131.37 36.18 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -76.52 134.82 39.36 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.016 0.436 . . . . 0.0 110.855 -176.536 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.402 ' HB ' HD12 ' A' ' 21' ' ' LEU . 48.5 mm -101.69 123.18 54.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.979 0.419 . . . . 0.0 111.439 -175.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.9 p -74.2 146.72 43.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.88 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -174.03 -175.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -175.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 31' ' ' VAL . 4.8 p -79.88 87.98 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 171.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -120.54 132.9 55.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.916 -171.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 35' ' ' VAL . 29.1 t70 68.89 -0.71 2.3 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 124.024 0.828 . . . . 0.0 112.578 168.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 69.13 -14.5 0.3 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.553 0.741 . . . . 0.0 112.426 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.401 ' H ' ' C ' ' A' ' 33' ' ' ASP . 62.1 t -90.37 -37.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.636 0.255 . . . . 0.0 110.797 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.2 mptp? -67.7 -71.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.958 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 44.39 89.7 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -128.65 26.1 5.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.663 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 61.92 101.43 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.381 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.7 m 63.53 -173.1 0.16 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.432 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.95 -21.17 25.03 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.073 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 63.51 25.75 14.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.798 0.808 . . . . 0.0 110.403 -174.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -101.73 -56.4 2.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.351 -0.84 . . . . 0.0 108.967 174.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.488 HD22 ' HB1' ' A' ' 58' ' ' ALA . 8.5 mp -104.45 158.92 30.93 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.061 172.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' A' ' 47' ' ' THR . 31.3 Cg_exo -59.39 -163.39 0.02 OUTLIER 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 123.342 2.695 . . . . 0.0 113.261 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -74.03 30.44 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.773 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.425 ' H ' ' C ' ' A' ' 45' ' ' PRO . 16.9 p -63.09 155.33 28.2 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.837 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -76.67 97.66 4.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.76 -173.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -137.39 137.91 39.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.327 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -147.47 3.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.199 0.523 . . . . 0.0 111.404 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 61.8 m -111.85 140.22 46.68 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.022 -0.424 . . . . 0.0 109.862 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 52' ' ' LEU . 3.8 mm? -63.32 -41.37 98.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.704 0.288 . . . . 0.0 110.85 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.602 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 tm? -68.7 -40.32 80.07 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.413 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 27.0 t70 -62.65 -46.96 85.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.854 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.45 -43.41 93.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.295 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.72 93.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.114 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.602 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 63.6 mtm180 -65.93 -45.27 82.49 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.682 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.488 ' HB1' HD22 ' A' ' 44' ' ' LEU . . . -57.4 -39.51 76.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -176.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.51 -50.14 69.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.718 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 8' ' ' PHE . 70.0 mt -63.26 -38.36 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.362 0.601 . . . . 0.0 110.597 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -63.14 -37.62 87.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.756 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -96.06 -25.8 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.8 p -116.76 118.55 32.83 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.246 0.546 . . . . 0.0 110.818 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.5 m -80.76 -7.32 10.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.635 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.39 -31.36 72.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.41 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -84.45 3.25 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 111.111 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 t -113.59 142.69 45.67 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.2 -73.88 1.28 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.908 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.7 p -141.51 -5.27 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.16 0.505 . . . . 0.0 110.236 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.592 ' HE2' ' HB3' ' A' ' 9' ' ' GLU . 92.5 mttt 69.53 -64.05 0.36 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.823 -178.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 59.19 87.78 0.08 Allowed 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.792 0.683 . . . . 0.0 110.725 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -97.57 -167.84 32.47 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.449 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.8 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.015 176.382 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.93 0.395 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.8 p -90.38 -24.99 20.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.411 0.624 . . . . 0.0 109.74 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 31.9 p-80 -128.52 135.55 49.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.752 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.516 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 86.2 t60 -109.03 118.02 35.71 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -94.56 138.33 32.58 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.045 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.967 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 4.7 tp10 -143.54 136.76 27.9 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.8 t -115.91 116.64 52.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.416 ' O ' HG21 ' A' ' 60' ' ' ILE . 11.2 t80 -129.1 108.25 10.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.127 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 56.64 25.47 10.04 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.854 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.04 -5.11 52.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.767 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.58 144.71 17.25 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.51 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.2 m -105.05 116.68 32.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.967 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.4 mt -97.2 119.82 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.862 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -113.24 105.36 13.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.583 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.516 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 66.2 mt -110.48 120.7 61.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.768 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 33.9 mt-10 -119.92 123.38 43.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.062 0.458 . . . . 0.0 112.224 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 17.8 t70 45.14 48.64 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.444 -1.253 . . . . 0.0 112.218 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 2.3 t70 75.14 -53.19 0.66 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 173.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 m -90.32 -31.39 16.94 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -167.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.768 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 4.2 t -79.49 104.31 10.01 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.45 HD22 HG12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -110.31 115.57 29.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.151 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.73 141.62 46.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.592 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.5 mt -129.29 116.33 39.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 65.44 8.54 5.09 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.572 0.545 . . . . 0.0 111.797 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.86 -10.93 49.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.805 -175.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -85.85 137.74 32.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.65 140.18 35.81 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.163 -178.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.0 mm -109.4 96.67 4.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.2 t -91.08 99.22 12.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.788 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.438 ' HE1' HD22 ' A' ' 55' ' ' LEU . 13.6 m-85 -81.7 147.73 29.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 172.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 t -91.22 77.19 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.74 73.02 10.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.831 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -148.57 157.92 43.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.711 -175.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.17 -11.35 8.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.022 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.1 t -78.14 -41.4 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.288 0.566 . . . . 0.0 110.671 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -84.35 -0.51 52.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.127 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 59.86 23.71 12.71 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.298 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -117.52 93.64 4.24 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.082 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -96.16 93.32 6.87 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 173.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.0 m -156.25 173.54 16.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.026 0.441 . . . . 0.0 111.018 -175.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 p -114.87 -13.58 11.97 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.505 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 74.68 -46.33 0.6 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.739 0.816 . . . . 0.0 111.602 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -60.76 -34.5 74.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.799 0.333 . . . . 0.0 111.405 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.862 HD11 HG12 ' A' ' 59' ' ' ILE . 6.6 mp -98.18 144.02 27.31 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.935 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -83.06 82.94 2.03 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.046 2.497 . . . . 0.0 112.27 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.0 p90 44.2 30.18 0.42 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.563 1.145 . . . . 0.0 113.281 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.24 165.16 19.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.878 0.37 . . . . 0.0 110.511 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -88.81 129.49 35.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.164 0.507 . . . . 0.0 111.583 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.545 ' CG ' ' HG ' ' A' ' 55' ' ' LEU . 7.8 p90 -159.04 158.48 33.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.023 175.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -136.45 -42.94 0.62 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.573 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 16.1 m -108.22 170.71 7.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.139 -170.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.4 -51.84 32.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -173.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.6 -38.24 77.2 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.073 0.464 . . . . 0.0 109.769 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.95 -41.77 88.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.609 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.642 ' O ' HG13 ' A' ' 59' ' ' ILE . 1.4 tt -69.05 -51.03 43.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.896 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.421 ' HA ' HD12 ' A' ' 59' ' ' ILE . . . -57.35 -43.09 83.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.931 -177.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -69.17 -31.15 69.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.969 0.414 . . . . 0.0 110.8 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.15 -33.93 72.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.503 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.862 HG12 HD11 ' A' ' 44' ' ' LEU . 62.9 mt -61.66 -50.83 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.334 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.416 HG21 ' O ' ' A' ' 8' ' ' PHE . 70.7 mt -65.52 -39.84 86.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -177.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 28.7 ttt85 -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.452 -175.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -105.89 -24.93 12.34 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.865 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.6 p -124.65 110.34 14.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.242 0.544 . . . . 0.0 110.734 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 t -71.36 -18.71 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.131 -172.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.51 -4.45 11.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -100.71 7.26 43.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.46 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t -85.13 138.73 32.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.48 12.73 61.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.315 -0.945 . . . . 0.0 113.706 -171.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.9 p -152.9 139.03 12.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 117.202 0.501 . . . . 0.0 110.962 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -101.88 156.02 17.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.089 175.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -85.67 -11.31 54.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.431 0.634 . . . . 0.0 109.934 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 143.7 -161.08 27.77 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.214 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.6 m . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.715 -0.66 . . . . 0.0 109.8 177.397 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.6 m -108.42 -20.6 13.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.823 -173.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 13.8 p-80 -123.29 137.72 54.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.774 -178.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 57.5 t60 -106.05 120.2 41.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.286 170.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -106.06 137.71 43.52 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -149.56 136.19 19.35 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 11' ' ' GLY . 61.0 t -107.45 115.94 49.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.239 0.542 . . . . 0.0 111.346 -176.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -112.21 106.35 14.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.647 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 5.2 mm-40 54.41 36.35 25.27 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.107 0.479 . . . . 0.0 111.698 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.49 -11.99 70.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.313 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 7' ' ' VAL . . . -86.17 140.16 17.4 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.406 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.4 m -102.09 117.1 34.08 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.049 0.452 . . . . 0.0 110.815 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.4 mt -96.47 119.92 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.476 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -115.89 116.73 28.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.733 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.553 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 60.2 mt -109.65 120.25 60.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 1.016 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 42.1 mt-10 -101.96 115.98 31.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.467 -178.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 27.8 t70 51.54 42.37 29.42 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.877 170.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.465 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 19.8 t70 75.17 -12.36 0.97 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 172.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.4 p -120.93 -54.6 2.02 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -173.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 1.016 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 8.4 t -65.49 117.16 7.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.736 0.303 . . . . 0.0 110.948 -172.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.663 HD12 ' HB ' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -99.43 116.37 31.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -130.94 138.66 49.84 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.693 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.0 mt -127.44 119.66 52.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 61.36 16.94 7.86 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.073 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.19 -21.69 32.84 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.468 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -89.14 129.13 35.79 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.4 140.19 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.816 0.341 . . . . 0.0 110.652 -176.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.663 ' HB ' HD12 ' A' ' 21' ' ' LEU . 47.4 mm -104.36 120.33 54.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.951 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 m -94.36 109.49 21.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.984 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -94.49 167.82 11.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.475 0.655 . . . . 0.0 111.36 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.1 t -107.28 92.08 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 114.768 -1.106 . . . . 0.0 109.263 175.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -114.15 105.5 13.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.268 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.5 t70 73.24 -15.32 0.55 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.494 0.718 . . . . 0.0 112.361 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.72 94.33 6.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.109 0.481 . . . . 0.0 110.854 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.1 t -72.5 -30.8 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.844 -176.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -76.11 -10.32 59.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.922 -176.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HB3' ' H ' ' A' ' 38' ' ' LYS . 6.2 m-20 -82.55 -155.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.647 0.26 . . . . 0.0 110.979 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' H ' ' HB3' ' A' ' 37' ' ' ASN . 36.6 tttp -78.83 167.01 21.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.296 -0.252 . . . . 0.0 110.325 -177.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -73.89 -28.29 61.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 111.222 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.1 p -148.75 -178.08 6.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.127 0.489 . . . . 0.0 111.386 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -78.52 -0.73 30.71 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.677 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 58.15 -36.34 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 126.003 1.721 . . . . 0.0 115.241 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -67.81 -25.47 65.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.441 0.564 . . . . 0.0 111.545 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.85 153.64 37.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -66.08 -172.78 0.29 Allowed 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.154 2.569 . . . . 0.0 112.655 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -82.68 41.63 0.73 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.161 -175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 48' ' ' GLN . 1.0 OUTLIER -105.59 170.81 7.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.458 ' H ' HG22 ' A' ' 47' ' ' THR . 15.7 pt20 -105.4 123.68 48.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.251 0.548 . . . . 0.0 110.313 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -134.59 120.81 20.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.619 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -106.68 -21.89 12.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.969 0.414 . . . . 0.0 110.546 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.837 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 10.5 m -79.13 126.54 30.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.484 HD11 HD23 ' A' ' 21' ' ' LEU . 2.8 tm? -65.2 -44.62 87.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.036 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.97 -34.11 77.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.837 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 8.8 t0 -65.84 -41.34 91.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.452 ' O ' HG13 ' A' ' 59' ' ' ILE . 8.9 tt -59.88 -49.93 75.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.117 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.42 90.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.366 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -67.31 -39.41 85.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.967 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.49 -34.27 72.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.842 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 55' ' ' LEU . 82.8 mt -62.9 -51.04 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.49 178.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.33 -38.87 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.768 0.794 . . . . 0.0 109.659 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -58.42 -43.84 88.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.475 -1.238 . . . . 0.0 112.279 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.13 -0.41 26.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -172.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.488 ' OG1' ' HD2' ' A' ' 66' ' ' PHE . 64.2 p -120.28 126.6 50.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.126 0.488 . . . . 0.0 110.039 173.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.28 -31.0 42.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.176 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -74.92 -16.37 60.66 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -173.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.488 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 50.1 m-85 -92.39 -13.11 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.618 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 m -83.37 139.13 33.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -103.58 163.68 15.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.664 -172.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.5 t 66.63 93.52 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 123.41 0.684 . . . . 0.0 112.383 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -106.21 90.86 3.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.433 169.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 59.47 95.85 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.893 0.745 . . . . 0.0 111.161 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.15 120.67 0.64 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.146 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.95 177.929 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.484 1.266 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 m -88.52 -35.27 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.341 0.591 . . . . 0.0 109.456 175.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.482 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . 17.2 p-80 -121.78 138.23 54.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.371 175.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -108.44 123.33 48.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.437 -176.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.11 134.11 54.76 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.49 176.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -160.62 163.22 32.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.741 176.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.8 t -116.08 124.8 72.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 174.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -111.51 106.28 15.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.098 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 49.57 31.21 3.98 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 175.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.42 -20.97 20.27 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.72 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.55 136.17 13.06 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.822 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -88.49 130.87 35.11 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.473 0.177 . . . . 0.0 110.871 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -102.78 119.12 50.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.871 0.367 . . . . 0.0 110.219 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -120.26 102.4 8.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.299 175.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.476 HG12 HD22 ' A' ' 21' ' ' LEU . 63.9 mt -119.77 122.92 69.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.795 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 27.3 mt-10 -121.79 117.38 26.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.22 0.533 . . . . 0.0 112.126 178.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 t0 48.84 40.89 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.481 -1.236 . . . . 0.0 112.625 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t70 74.04 -35.71 0.31 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.861 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.2 p -79.56 -49.31 12.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.795 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 19.1 t -73.78 96.25 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.465 -177.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.993 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -105.79 113.12 26.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 173.378 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.87 124.5 22.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 178.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.8 mt -106.33 107.7 23.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 58.01 20.53 6.91 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.046 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.25 -19.8 13.02 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.762 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -88.15 122.85 32.19 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.444 -0.445 . . . . 0.0 110.574 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 12.4 pt-20 -80.48 120.4 24.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.412 0.625 . . . . 0.0 109.675 175.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.2 mm -90.47 116.88 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.738 -175.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 p -74.79 111.89 10.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.256 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.993 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 78.2 m-85 -112.72 166.83 11.0 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.804 174.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -112.21 106.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 169.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -72.85 98.82 2.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.66 -173.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 69.12 135.86 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 124.475 1.109 . . . . 0.0 110.602 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' A' ' 38' ' ' LYS . . . -148.96 127.89 12.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.522 -174.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -116.83 -67.7 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.282 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -94.63 -41.22 9.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.193 0.52 . . . . 0.0 110.241 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -101.63 112.2 24.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.691 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.537 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -139.95 93.02 2.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.238 0.542 . . . . 0.0 111.906 -176.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -86.65 -25.74 24.7 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 171.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m 60.07 -164.5 0.22 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.276 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -65.1 112.79 3.53 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 120.926 0.394 . . . . 0.0 110.862 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 42' ' ' ARG . 15.0 tpt180 -68.56 -36.24 78.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.26 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.56 -25.56 61.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.955 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.519 HD22 ' HA ' ' A' ' 59' ' ' ILE . 34.7 tp -152.75 87.19 4.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 0.0 109.912 -179.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -76.17 119.6 5.38 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.185 2.59 . . . . 0.0 113.62 -171.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 57.59 64.53 1.55 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.491 170.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.78 172.8 11.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.021 176.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -90.33 86.58 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.505 ' CD1' HD13 ' A' ' 55' ' ' LEU . 50.3 p90 -131.9 171.15 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.068 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -115.7 -45.35 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.84 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.7 p -118.37 168.19 10.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.792 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.7 tp -70.2 -33.06 71.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.119 0.485 . . . . 0.0 110.065 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -42.26 87.35 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.26 -37.66 88.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.292 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.505 HD13 ' CD1' ' A' ' 49' ' ' TYR . 57.4 tp -62.64 -44.72 95.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.973 177.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.76 -44.11 81.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.98 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.82 -34.21 71.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.837 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.64 74.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.884 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.519 ' HA ' HD22 ' A' ' 44' ' ' LEU . 64.5 mt -64.56 -49.93 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.933 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.88 -40.32 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.388 0.614 . . . . 0.0 110.159 178.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -59.06 -36.08 74.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.763 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.11 -25.35 17.19 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -173.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.1 p -82.3 137.33 34.84 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.518 0.675 . . . . 0.0 111.629 -175.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.7 m -97.54 -24.35 4.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.449 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -75.21 -33.77 61.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.962 0.41 . . . . 0.0 111.168 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -74.75 -25.76 59.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 109.879 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.5 m -95.3 34.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.3 176.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -106.03 9.07 42.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.651 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.0 108.61 22.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.875 0.369 . . . . 0.0 110.446 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -86.95 -51.7 5.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.141 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -120.31 144.03 48.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.14 -61.44 0.5 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.441 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.448 -0.787 . . . . 0.0 110.346 179.719 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 m -149.15 112.03 4.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.219 -176.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.6 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 4.7 p-80 -120.99 135.83 55.12 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.458 0.647 . . . . 0.0 111.815 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -98.56 120.84 39.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.301 175.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.688 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 11.1 m -131.16 139.55 49.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.202 0.525 . . . . 0.0 110.687 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -159.78 142.47 13.71 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.985 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.6 t -96.36 116.36 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.007 0.432 . . . . 0.0 110.064 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.412 ' HE2' ' HB2' ' A' ' 61' ' ' ARG . 40.7 t80 -109.76 106.34 15.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.456 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 54.47 18.92 2.12 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.46 -17.44 14.05 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.667 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.51 133.22 11.41 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.608 ' H ' ' HB2' ' A' ' 24' ' ' ASN . 19.6 m -96.09 125.24 40.49 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.646 0.26 . . . . 0.0 111.139 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.688 ' O ' ' HA ' ' A' ' 5' ' ' THR . 69.7 mt -97.9 119.81 46.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -126.29 113.58 17.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.6 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 61.7 mt -119.6 119.22 59.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -114.14 128.22 56.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.138 0.494 . . . . 0.0 111.867 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 t0 61.4 29.58 18.57 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.412 171.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.4 t70 66.38 17.87 10.76 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.921 0.867 . . . . 0.0 110.292 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 p -140.23 -166.24 2.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.962 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 m 53.14 82.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.435 0.46 . . . . 0.0 111.75 172.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.916 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -89.73 114.77 26.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.696 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -135.27 129.38 33.49 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.612 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.447 HD12 HG13 ' A' ' 28' ' ' ILE . 67.3 mt -118.77 106.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.608 ' HB2' ' H ' ' A' ' 12' ' ' THR . 61.5 t30 50.56 50.98 17.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.164 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.38 -9.75 66.33 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.714 -0.675 . . . . 0.0 113.174 177.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -96.88 141.42 30.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.652 -0.322 . . . . 0.0 110.245 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.38 130.07 39.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.272 0.558 . . . . 0.0 110.461 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.734 ' HB ' HD12 ' A' ' 21' ' ' LEU . 29.6 mm -116.21 104.69 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.541 -176.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 m -75.97 -26.26 56.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.275 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.916 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 95.2 m-85 59.37 -163.19 0.23 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -170.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.63 73.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 122.383 1.087 . . . . 0.0 108.841 169.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.21 72.67 2.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.282 -173.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -175.03 -25.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.93 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.11 107.2 4.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.2 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.4 t -85.92 -30.0 6.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.245 0.545 . . . . 0.0 109.863 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -79.03 -49.28 12.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.273 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -88.17 77.54 8.28 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -92.66 130.79 38.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.784 -171.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -114.16 -4.81 13.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.507 -0.769 . . . . 0.0 108.938 172.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 56.0 m 67.72 -176.16 0.2 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.192 -172.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.4 m -60.93 139.53 57.99 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 42' ' ' ARG . 14.0 ptm180 -58.19 -27.88 64.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 111.731 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.429 ' C ' HD12 ' A' ' 44' ' ' LEU . 93.4 m-85 -74.67 -33.62 62.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.025 0.44 . . . . 0.0 110.488 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 62' ' ' ASP . 8.9 mp -128.98 83.34 66.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.176 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.51 139.1 30.84 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.434 2.09 . . . . 0.0 113.034 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 61.44 22.86 13.21 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.302 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.684 HG21 ' HB3' ' A' ' 44' ' ' LEU . 6.6 p -76.89 150.59 36.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.906 0.384 . . . . 0.0 111.445 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -99.87 127.11 46.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.788 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -150.74 172.53 15.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.242 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -125.14 -46.76 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.212 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.5 t -111.47 164.29 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -176.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.96 -40.56 65.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.849 0.357 . . . . 0.0 110.526 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.38 -39.8 89.31 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.73 -42.8 93.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.529 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.465 ' O ' HG13 ' A' ' 59' ' ' ILE . 1.3 tt -59.37 -46.64 88.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.268 178.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.08 82.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -66.86 -38.54 86.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.49 75.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 55' ' ' LEU . 84.5 mt -62.23 -48.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.584 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.411 HG21 ' O ' ' A' ' 8' ' ' PHE . 61.3 mt -69.39 -40.66 80.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.217 0.532 . . . . 0.0 110.964 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.412 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 50.0 ttt180 -62.99 -38.04 89.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.94 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.689 ' HB3' HD21 ' A' ' 44' ' ' LEU . 17.8 t70 -89.99 -1.76 58.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.671 -172.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.1 p -116.04 -174.71 2.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.866 0.365 . . . . 0.0 111.145 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.5 t -129.81 -50.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.344 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -85.78 18.19 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -173.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.57 -3.26 58.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.025 0.44 . . . . 0.0 110.599 174.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.3 t -75.02 155.16 37.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.608 174.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.454 ' HA2' HD21 ' A' ' 24' ' ' ASN . . . -83.45 -103.62 0.53 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.737 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.39 125.23 60.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.076 0.465 . . . . 0.0 110.917 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.701 ' HG3' ' H ' ' A' ' 72' ' ' GLY . 54.6 tptt -157.93 138.68 13.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.697 175.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.49 -23.56 40.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.728 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.701 ' H ' ' HG3' ' A' ' 70' ' ' LYS . . . 174.52 -102.3 0.17 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.3 -0.857 . . . . 0.0 109.702 176.13 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.3 m 53.33 36.63 23.34 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 122.181 0.991 . . . . 0.0 109.563 -173.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 1.4 p80 -99.52 143.63 29.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.912 -172.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -113.8 118.2 33.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.51 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.28 128.45 55.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.834 177.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -155.99 145.14 20.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.58 -172.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.9 t -113.48 125.21 70.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.861 0.362 . . . . 0.0 110.035 176.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.418 ' O ' HG21 ' A' ' 60' ' ' ILE . 42.8 t80 -125.87 107.39 10.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.111 -177.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 56.7 29.31 15.6 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.719 0.408 . . . . 0.0 111.774 176.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.01 -10.06 58.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.686 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.405 ' HA3' HD13 ' A' ' 60' ' ' ILE . . . -90.74 145.29 17.82 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.085 -0.579 . . . . 0.0 111.769 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -106.51 123.16 47.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.466 HD12 ' HB1' ' A' ' 56' ' ' ALA . 37.4 mm -97.84 120.21 46.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -120.04 101.94 8.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.382 176.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 64.1 mt -113.63 120.54 63.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 10.1 tt0 -120.26 133.87 55.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.576 0.227 . . . . 0.0 110.678 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 59.89 14.23 4.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.271 171.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 57.01 18.5 4.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 122.894 0.478 . . . . 0.0 111.577 -174.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.6 p -126.46 -42.26 1.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.251 0.548 . . . . 0.0 110.667 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.461 ' HB2' ' HB3' ' A' ' 16' ' ' GLU . 51.1 m -85.61 103.9 14.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.386 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.819 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -101.18 115.55 30.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 177.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.7 132.0 36.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.8 mt -116.97 114.72 46.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m120 62.24 24.38 14.51 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.338 0.589 . . . . 0.0 110.694 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.76 -6.4 77.02 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.416 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -94.12 122.95 37.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -70.39 128.97 38.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.092 0.472 . . . . 0.0 111.086 -177.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.81 ' HB ' HD12 ' A' ' 21' ' ' LEU . 47.5 mm -107.84 98.66 7.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.044 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 m -82.99 108.83 16.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.728 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.819 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 84.0 m-85 -83.49 164.92 19.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 31' ' ' VAL . 7.4 p -95.08 81.01 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 122.194 0.997 . . . . 0.0 110.677 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -92.33 88.01 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.078 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.493 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 25.3 t70 -147.66 149.15 31.93 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.275 -177.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.47 -34.32 54.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.738 -176.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.26 -46.88 15.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.056 0.455 . . . . 0.0 110.612 -176.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 33' ' ' ASP . 61.1 mttp -65.2 -42.71 93.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.983 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.5 t30 66.7 166.62 0.22 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.04 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 38' ' ' LYS . 45.1 mtmt -84.87 104.27 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.411 -176.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -104.33 -37.45 7.23 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.7 m -164.31 -167.13 1.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 3.9 p -83.88 -85.34 0.13 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.022 172.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 41' ' ' SER . 87.8 mtt180 -165.04 -57.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.258 177.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.447 ' O ' ' HD3' ' A' ' 45' ' ' PRO . 13.2 m-85 -76.05 -27.17 57.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.911 -175.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -115.0 86.93 14.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.704 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 43' ' ' TYR . 2.8 Cg_exo -75.89 136.76 19.02 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.918 2.412 . . . . 0.0 112.59 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 62.9 66.57 0.74 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.579 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.17 154.27 51.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.891 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -96.17 98.37 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 111.053 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.1 172.11 17.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.52 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -163.52 -35.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.805 0.336 . . . . 0.0 111.881 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 15.1 m -87.59 155.39 19.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.495 -174.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -64.96 -50.89 64.62 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.544 0.211 . . . . 0.0 111.363 -171.832 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.34 -38.44 84.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.335 0.588 . . . . 0.0 109.669 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.538 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 5.5 t70 -58.64 -41.48 86.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.76 175.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 51' ' ' SER . 63.6 mt -61.23 -52.67 63.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.253 177.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.466 ' HB1' HD12 ' A' ' 13' ' ' ILE . . . -62.68 -45.15 94.11 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.768 -175.012 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.62 -37.26 76.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.76 84.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.645 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 55' ' ' LEU . 88.7 mt -62.92 -49.78 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.027 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.418 HG21 ' O ' ' A' ' 8' ' ' PHE . 68.2 mt -66.04 -39.93 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.196 0.522 . . . . 0.0 110.586 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -58.88 -36.38 74.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.501 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.0 9.48 38.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 p -125.49 157.94 35.72 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.275 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.4 m -107.27 -17.58 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.455 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.59 -24.81 61.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.66 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -99.5 15.01 27.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.848 0.356 . . . . 0.0 111.133 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 t -87.54 162.53 17.16 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.68 171.22 15.04 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.085 -1.055 . . . . 0.0 113.161 -174.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.2 p -83.59 -0.29 5.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.45 0.643 . . . . 0.0 110.228 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -82.96 92.85 7.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.547 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -78.9 127.73 32.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.738 -176.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.19 160.48 27.45 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.92 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.455 -0.783 . . . . 0.0 109.693 176.718 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 120.806 0.336 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.4 m -126.07 112.62 16.08 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.389 175.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -86.92 132.31 33.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.818 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -107.17 120.6 42.54 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.825 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -94.89 139.42 31.35 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 171.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 1.023 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 14.9 tp10 -143.78 136.5 27.24 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.2 t -122.96 116.51 48.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.504 ' O ' HG21 ' A' ' 60' ' ' ILE . 38.5 t80 -127.46 113.96 16.86 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.973 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 59.0 24.07 12.26 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.512 0.508 . . . . 0.0 111.371 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.76 -3.48 60.86 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.915 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.23 137.0 13.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.271 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 m -93.46 121.23 34.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 1.023 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 80.6 mt -98.3 120.22 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.324 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.25 115.39 30.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.019 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.3 mt -110.11 120.53 61.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.811 0.338 . . . . 0.0 110.493 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 26.1 mt-10 -125.43 134.7 52.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.697 -177.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 4.3 t70 51.11 27.73 3.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.066 171.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.454 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 22.6 t70 74.12 -49.66 0.68 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.464 0.705 . . . . 0.0 112.454 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 m -89.62 -24.12 21.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -173.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.518 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 20.5 t -78.24 102.57 7.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.907 0.384 . . . . 0.0 110.372 -177.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.48 HD12 ' HB ' ' A' ' 28' ' ' ILE . 0.4 OUTLIER -98.8 118.07 34.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.261 178.837 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.4 140.86 45.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.868 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.5 mt -131.18 120.74 47.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 66.46 11.02 7.77 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.469 0.652 . . . . 0.0 110.409 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.8 -5.84 60.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.783 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -89.99 126.86 35.9 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -76.53 131.52 39.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.364 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.48 ' HB ' HD12 ' A' ' 21' ' ' LEU . 51.0 mm -108.75 102.8 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.924 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.5 m -89.07 116.59 27.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.338 173.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -100.31 163.16 12.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.451 0.643 . . . . 0.0 111.941 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.9 t -112.65 97.65 6.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.695 -1.138 . . . . 0.0 108.693 175.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -116.48 110.36 18.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.011 0.434 . . . . 0.0 111.585 -176.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -85.59 -25.62 26.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.656 174.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 69.4 -60.52 0.46 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.213 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.9 t -77.14 -60.33 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -173.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.94 -6.18 54.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -172.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 61.08 86.93 0.1 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.559 0.537 . . . . 0.0 112.275 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -85.74 -171.31 3.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.203 174.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 48.3 p90 -65.23 158.09 27.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.012 0.434 . . . . 0.0 111.622 -176.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -71.86 172.35 10.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.896 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -54.08 144.62 18.98 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.959 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -64.55 -16.5 62.72 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -85.81 -4.36 59.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.992 0.425 . . . . 0.0 110.141 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.747 ' HG ' ' HB ' ' A' ' 47' ' ' THR . 15.7 tp -125.25 86.15 57.33 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.582 -175.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -65.55 101.37 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.505 2.803 . . . . 0.0 113.696 -171.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 71.09 -4.06 1.88 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.918 173.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.747 ' HB ' ' HG ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -69.63 164.22 23.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.145 0.498 . . . . 0.0 110.825 -178.386 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -128.35 151.32 49.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.304 -178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -143.92 165.66 27.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.821 0.343 . . . . 0.0 110.613 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -83.17 -53.86 5.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.824 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 p -156.09 -166.28 2.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.09 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.86 -46.51 89.12 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -171.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.09 -47.48 79.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.1 0.476 . . . . 0.0 110.047 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.57 -33.96 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.664 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.19 -51.72 68.21 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.943 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.61 93.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.04 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -66.93 -38.84 86.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.699 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.03 88.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.3 mt -62.91 -49.33 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.504 HG21 ' O ' ' A' ' 8' ' ' PHE . 71.2 mt -61.44 -39.72 83.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.812 0.339 . . . . 0.0 111.17 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.444 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 33.8 ttp180 -68.64 -43.53 76.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.778 0.323 . . . . 0.0 111.361 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -25.72 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.064 0.459 . . . . 0.0 111.423 -173.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.7 p -124.25 94.49 4.23 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.617 0.722 . . . . 0.0 109.754 173.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.2 m -73.84 -1.49 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.791 -170.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -74.41 1.33 11.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.203 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -94.96 -2.84 49.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.249 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.9 m -74.38 99.36 3.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.296 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -93.89 -46.76 3.06 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.401 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.0 t -102.85 101.24 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.78 0.324 . . . . 0.0 110.556 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 33.8 tttp -135.61 26.14 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.055 0.455 . . . . 0.0 110.79 -176.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 63.91 -159.84 0.3 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.976 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -128.1 34.5 2.94 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 174.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.499 -0.763 . . . . 0.0 110.596 -175.017 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.1 mmm . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.541 0.21 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.5 m -74.82 -45.36 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.082 0.468 . . . . 0.0 111.183 -175.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 2.0 p80 -102.09 143.09 32.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.587 -178.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.583 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.9 t60 -110.74 116.56 31.51 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -102.87 135.64 44.17 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' CD ' HH21 ' A' ' 57' ' ' ARG . 33.1 tt0 -159.54 140.36 12.43 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.487 -174.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.3 t -117.0 114.75 46.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -110.55 107.67 17.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.037 -177.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 58.53 10.73 1.47 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.28 0.632 . . . . 0.0 112.524 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.28 -13.55 8.93 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.712 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.12 146.98 19.37 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.969 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -101.28 116.63 33.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.745 0.307 . . . . 0.0 110.77 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.5 mt -99.08 120.19 48.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -116.63 102.4 9.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.04 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.583 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 64.5 mt -113.18 123.22 68.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 121.182 -0.207 . . . . 0.0 110.607 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 20' ' ' SER . 2.3 tm-20 -118.41 131.07 56.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 36.0 t70 57.46 24.45 10.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.623 172.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.467 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 5.6 t70 74.64 -48.37 0.65 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.354 0.661 . . . . 0.0 112.46 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.4 m -94.98 -14.63 24.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -171.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 16' ' ' GLU . 36.8 m -92.3 97.86 11.14 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.8 tp -108.02 123.97 49.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.284 0.564 . . . . 0.0 112.05 -172.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.03 142.11 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.509 176.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.526 HD12 HG13 ' A' ' 28' ' ' ILE . 63.3 mt -125.2 117.28 49.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 m120 59.33 26.56 15.44 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.894 -177.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.49 -8.12 77.27 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.775 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -94.56 127.45 40.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.86 111.98 4.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.549 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.526 HG13 HD12 ' A' ' 23' ' ' ILE . 49.3 mm -100.68 99.53 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.227 0.537 . . . . 0.0 109.927 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -95.46 124.02 39.28 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.177 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -88.19 154.22 20.61 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 172.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.6 t -93.35 98.79 8.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 174.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.81 19.83 16.46 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.863 -173.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.43 ' CG ' ' HD3' ' A' ' 36' ' ' LYS . 9.5 t70 -128.05 143.31 51.07 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.738 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.36 -13.45 19.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.775 0.321 . . . . 0.0 111.605 -175.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -83.6 -31.1 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.242 0.544 . . . . 0.0 109.892 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.43 ' HD3' ' CG ' ' A' ' 33' ' ' ASP . 13.1 mptt -77.1 -13.36 59.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.03 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 71.96 166.19 0.3 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.573 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt 61.21 75.63 0.4 Allowed 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.698 -178.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -73.33 162.83 28.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.869 -175.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' A' ' 45' ' ' PRO . 21.0 m 75.65 -168.76 0.08 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.663 0.785 . . . . 0.0 110.923 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.2 p -78.81 151.4 31.96 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -85.39 22.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.615 0.722 . . . . 0.0 110.306 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.08 -51.54 2.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 172.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 59' ' ' ILE . 8.1 mp -124.43 86.44 55.04 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.528 172.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.514 ' HA ' ' HB2' ' A' ' 40' ' ' SER . 72.4 Cg_endo -89.06 133.29 2.4 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.785 2.323 . . . . 0.0 112.767 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.481 ' HD1' ' HB2' ' A' ' 45' ' ' PRO . 59.3 m-85 68.7 12.4 8.66 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.505 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -80.01 170.31 16.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.341 178.071 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.427 ' H ' HG22 ' A' ' 47' ' ' THR . 31.7 mm-40 -94.78 108.42 20.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.29 0.567 . . . . 0.0 111.438 -175.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.421 ' CD2' ' HG ' ' A' ' 55' ' ' LEU . 17.8 p90 -131.31 143.81 50.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.877 174.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -91.58 -36.48 13.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.128 0.49 . . . . 0.0 111.391 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.492 ' H ' ' HB3' ' A' ' 54' ' ' ASP . 24.0 t -137.77 167.0 22.61 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.288 -176.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.98 -42.17 99.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.807 0.337 . . . . 0.0 110.76 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.425 HD23 HD11 ' A' ' 15' ' ' ILE . 3.1 tm? -67.66 -35.22 78.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.225 0.536 . . . . 0.0 109.639 178.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.492 ' HB3' ' H ' ' A' ' 51' ' ' SER . 36.1 t70 -64.33 -36.08 82.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.101 177.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 49' ' ' TYR . 1.7 tt -63.9 -47.23 81.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.998 176.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.16 80.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.002 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.405 HH21 ' CD ' ' A' ' 6' ' ' GLU . 97.2 mtt180 -66.02 -39.55 90.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.561 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.85 -38.18 81.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.895 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.491 ' HA ' HD13 ' A' ' 44' ' ' LEU . 79.3 mt -62.61 -49.19 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.63 -39.81 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.203 0.525 . . . . 0.0 110.523 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -62.11 -32.31 72.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.517 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -95.15 -6.51 41.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.7 -173.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.4 p -116.32 175.87 5.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.114 0.483 . . . . 0.0 111.596 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.2 t -121.12 -32.72 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.222 176.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.22 -25.73 67.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.478 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -80.08 73.65 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.549 0.69 . . . . 0.0 110.036 175.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.1 t -170.31 111.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.791 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.94 -83.5 1.72 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.295 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.4 t -96.42 86.63 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.311 0.577 . . . . 0.0 109.565 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -112.54 110.11 20.09 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.896 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -122.41 179.72 4.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.436 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.43 176.16 38.79 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.846 -0.693 . . . . 0.0 111.849 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.362 -0.828 . . . . 0.0 109.213 179.508 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 120.701 0.286 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.5 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 39.9 p -96.02 -8.67 32.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.279 0.561 . . . . 0.0 110.375 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -88.71 111.37 21.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.486 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.609 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 78.3 t60 -96.31 120.41 36.55 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -125.01 142.02 51.76 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.62 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.55 153.1 22.61 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.979 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.37 114.35 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.865 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.535 ' HB3' HD12 ' A' ' 60' ' ' ILE . 31.8 t80 -109.82 107.54 17.55 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 53.89 28.69 8.78 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.09 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.62 -1.2 61.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.659 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.78 141.88 15.84 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.637 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -90.31 119.77 30.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.788 0.328 . . . . 0.0 110.994 -177.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.428 HD12 ' HB1' ' A' ' 56' ' ' ALA . 41.7 mm -98.0 119.84 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.905 176.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.86 107.53 14.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.367 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.609 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 68.1 mt -116.31 119.95 63.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -110.77 144.2 40.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.404 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.5 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 25.3 t70 57.95 29.03 17.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.192 171.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 t70 70.65 -6.86 1.14 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.365 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -132.11 -42.08 0.99 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -170.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 50.9 m -67.01 122.72 18.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.859 0.362 . . . . 0.0 111.354 -176.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.48 HD22 HG12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -107.33 116.92 32.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.735 -175.097 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -135.6 138.52 43.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 175.64 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' A' ' 56' ' ' ALA . 61.5 mt -135.57 128.34 47.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 65.52 14.31 9.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.581 0.705 . . . . 0.0 110.972 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.04 5.09 68.28 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.924 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -110.4 134.76 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.521 ' HA ' HG22 ' A' ' 22' ' ' THR . 35.9 tt0 -74.91 142.28 44.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.015 0.436 . . . . 0.0 110.85 -177.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 42.4 mm -107.98 98.56 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.477 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.4 m -76.04 112.19 12.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.378 0.609 . . . . 0.0 111.94 -176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -96.02 -171.64 2.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.976 171.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 33' ' ' ASP . 6.3 p -105.36 97.45 5.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-O 121.731 0.777 . . . . 0.0 109.372 173.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -76.56 101.65 5.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.784 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' HG22 ' A' ' 31' ' ' VAL . 6.2 t70 63.13 -169.71 0.19 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.428 -174.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 53.46 56.24 7.6 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.381 0.61 . . . . 0.0 110.362 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.97 -21.53 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.067 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -56.97 -19.92 20.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.775 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -82.26 59.36 4.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 110.073 176.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.487 ' HB3' ' NZ ' ' A' ' 38' ' ' LYS . 6.0 ttpm? -81.72 85.19 6.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.059 -176.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -129.8 19.86 5.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.638 177.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.4 m 66.82 178.43 0.22 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.068 -172.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 1.4 m -68.17 -74.15 0.13 Allowed 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 174.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 41' ' ' SER . 15.7 ttm180 173.48 -58.07 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.759 171.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -55.06 -42.6 72.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.896 -173.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.497 ' HB3' HG21 ' A' ' 47' ' ' THR . 8.6 mp -123.62 87.19 52.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.693 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.02 158.68 23.9 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.531 2.154 . . . . 0.0 112.047 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 58.04 38.41 26.67 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 111.457 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.497 HG21 ' HB3' ' A' ' 44' ' ' LEU . 7.2 p -113.65 170.75 8.02 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -125.94 110.45 13.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.131 0.491 . . . . 0.0 111.199 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -161.95 171.55 17.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.757 178.541 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -146.69 -1.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 111.246 177.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.2 t -114.75 146.51 40.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.622 0.249 . . . . 0.0 110.882 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.47 -37.74 77.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.424 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.43 -45.85 85.74 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.25 -47.25 86.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.186 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.53 HD23 ' CE2' ' A' ' 49' ' ' TYR . 2.6 tm? -61.89 -48.23 81.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.714 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' HA ' HD11 ' A' ' 23' ' ' ILE . . . -56.44 -46.25 80.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.194 0.521 . . . . 0.0 111.089 -178.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -72.0 -32.53 67.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.164 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.47 80.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.583 0.23 . . . . 0.0 111.165 178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 55' ' ' LEU . 56.9 mt -63.41 -50.22 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.558 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 8' ' ' PHE . 62.6 mt -64.56 -37.69 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.429 0.633 . . . . 0.0 109.89 178.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -58.66 -35.53 72.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.77 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -101.59 -26.33 13.57 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.8 p -126.28 121.16 31.84 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.17 0.509 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 m -82.13 -11.77 12.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.11 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -70.65 -2.1 13.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -98.11 3.3 49.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.139 0.495 . . . . 0.0 110.599 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 t -86.03 154.93 21.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 172.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.48 -102.8 0.06 OUTLIER Glycine 0 C--N 1.329 0.19 0 C-N-CA 121.057 -0.592 . . . . 0.0 113.074 -176.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -78.4 103.78 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.839 0.352 . . . . 0.0 110.15 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -118.01 100.11 7.34 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -173.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.68 -29.58 16.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 167.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.35 -176.05 53.66 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.352 -0.84 . . . . 0.0 113.023 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.251 1.182 0 C-N-CA 122.978 0.511 . . . . 0.0 111.36 176.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.848 0.356 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.9 m -79.62 117.24 20.37 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -110.11 134.24 52.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.922 0.392 . . . . 0.0 110.357 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.548 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.4 t60 -118.81 117.36 28.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -110.74 125.05 53.1 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.291 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -142.8 141.22 31.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.519 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.2 t -106.19 124.94 61.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.002 0.429 . . . . 0.0 110.723 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -121.47 108.38 13.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.782 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 58.34 23.71 10.81 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.143 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.9 -20.59 28.83 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.345 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.26 136.62 14.32 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.958 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.1 m -89.27 127.94 35.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.897 0.38 . . . . 0.0 110.993 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.491 HG22 HG13 ' A' ' 15' ' ' ILE . 67.0 mt -98.62 119.08 46.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.597 174.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.0 103.83 13.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.065 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.548 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 61.6 mt -114.03 120.78 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.842 0.353 . . . . 0.0 110.476 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.894 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 31.2 mt-10 -122.18 123.55 41.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.759 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 65.77 14.19 9.4 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.335 0.588 . . . . 0.0 111.464 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 66.31 6.36 4.22 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.383 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -118.69 -37.22 3.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 0.0 111.27 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.894 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 30.9 t -80.47 116.49 20.55 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.633 ' HG ' ' OH ' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -120.68 116.6 25.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.119 0.485 . . . . 0.0 110.007 -179.27 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.66 131.74 36.11 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.902 177.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.41 HG22 ' HB3' ' A' ' 66' ' ' PHE . 64.7 mt -116.41 121.24 67.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 71.9 -12.94 0.62 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.43 0.692 . . . . 0.0 110.789 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 23' ' ' ILE . . . 120.73 4.33 10.63 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -174.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -106.85 132.98 52.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.31 135.21 50.11 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.828 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.408 HG13 HG13 ' A' ' 23' ' ' ILE . 40.3 mm -111.16 114.05 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.652 -178.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 t -113.1 150.7 31.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.975 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.633 ' OH ' ' HG ' ' A' ' 21' ' ' LEU . 8.0 m-85 -126.02 160.43 30.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 p -93.04 85.12 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 165.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.05 21.25 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.108 -163.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -132.89 126.8 32.97 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.11 147.5 25.89 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.984 -175.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.4 t -110.6 -37.14 2.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.331 176.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -88.82 9.65 23.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.684 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 64.4 -163.54 0.26 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.676 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.854 ' HA ' ' HB3' ' A' ' 48' ' ' GLN . 98.1 mttt 59.2 50.44 7.96 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.156 0.503 . . . . 0.0 111.284 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -82.5 153.11 25.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.665 176.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 45' ' ' PRO . 69.1 m -152.27 -178.33 6.74 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.106 0.479 . . . . 0.0 111.202 -176.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.546 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 5.9 p -83.65 -77.29 0.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.156 177.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? 175.14 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.953 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -86.68 -27.62 23.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.394 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mp -128.14 76.65 77.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.148 174.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.464 ' HA ' ' CB ' ' A' ' 40' ' ' SER . 65.5 Cg_endo -95.41 78.06 0.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 123.032 2.488 . . . . 0.0 112.73 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -149.77 -63.01 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.665 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.1 p -92.69 143.58 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.777 -177.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.854 ' HB3' ' HA ' ' A' ' 38' ' ' LYS . 9.3 pt20 -90.15 111.22 22.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.608 0.718 . . . . 0.0 110.151 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.509 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -112.24 147.58 35.93 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.189 -179.443 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -119.29 -31.51 4.64 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -174.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.584 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 22.4 m -76.73 129.85 36.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.04 -178.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.68 -41.47 97.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.865 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.641 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 4.3 mm? -69.24 -41.45 76.96 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.281 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.584 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 38.4 t70 -58.23 -43.92 88.01 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.495 0.664 . . . . 0.0 109.996 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.509 ' HG ' ' CD1' ' A' ' 49' ' ' TYR . 1.4 tt -64.14 -49.62 71.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.454 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -46.81 87.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.313 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 10.1 mtm180 -61.91 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.18 92.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -178.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.6 -48.27 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.988 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.86 -39.54 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 110.755 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -69.12 -31.79 70.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.099 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -86.23 -25.58 25.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.997 0.427 . . . . 0.0 112.11 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.2 p -109.44 170.58 7.97 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.364 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.87 -23.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.01 -50.32 72.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.41 ' HB3' HG22 ' A' ' 23' ' ' ILE . 97.8 m-85 -74.35 -17.89 60.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.367 -175.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -74.25 -46.89 38.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.011 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.35 63.97 4.27 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.13 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 p -70.95 94.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.804 0.811 . . . . 0.0 110.889 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -72.65 -42.76 64.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.398 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -60.59 -60.84 3.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.83 -175.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.93 147.28 5.62 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.551 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.6 m . . . . . 0 C--O 1.253 1.256 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.811 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.414 ' HB3' ' H ' ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.414 ' H ' ' HB3' ' A' ' 1' ' ' MET . 95.6 m -70.35 -28.21 64.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.93 0.395 . . . . 0.0 110.419 178.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.603 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 35.3 m80 -96.6 128.3 43.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.604 176.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.418 ' HB3' HD12 ' A' ' 15' ' ' ILE . 40.2 t60 -98.75 117.65 33.71 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 172.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.18 123.16 37.39 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.207 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.41 ' CD ' HH21 ' A' ' 57' ' ' ARG . 31.6 tt0 -160.16 142.04 12.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.49 -176.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.3 t -122.29 117.3 51.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 173.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.426 ' O ' HG21 ' A' ' 60' ' ' ILE . 41.1 t80 -110.84 107.71 17.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.529 -175.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 51.36 30.61 6.24 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 174.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 67' ' ' SER . . . 119.83 -33.53 4.56 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.875 178.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.66 139.48 14.76 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.812 -174.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -89.2 128.89 35.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.701 0.286 . . . . 0.0 110.75 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.8 mt -103.02 120.66 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.973 0.416 . . . . 0.0 110.376 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.29 123.57 49.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.391 176.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 62.3 mt -124.36 126.43 71.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.137 -175.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 1.126 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 20.3 mm-40 -108.95 105.55 15.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.53 173.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 11.2 t70 60.57 18.67 8.57 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.543 0.527 . . . . 0.0 111.335 171.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 17' ' ' ASP . 1.2 m-20 74.14 -42.07 0.5 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.888 0.875 . . . . 0.0 112.482 -177.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.29 -15.44 60.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -176.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 1.126 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 7.9 t -114.91 95.63 5.31 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.575 ' HB3' ' HE1' ' A' ' 30' ' ' TYR . 63.3 tp -98.96 122.05 41.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.007 0.432 . . . . 0.0 111.083 -177.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 p -129.31 121.93 28.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.755 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.1 mt -103.96 112.03 35.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.5 t30 54.24 30.44 12.36 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.881 -176.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.99 -23.66 32.97 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.699 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -79.02 121.98 25.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.831 0.348 . . . . 0.0 110.513 -177.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.55 129.77 34.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.092 0.472 . . . . 0.0 110.042 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 mm -101.43 147.46 8.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.868 -172.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 41' ' ' SER . 24.3 t -94.48 158.62 15.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.575 ' HE1' ' HB3' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -135.26 149.43 49.83 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.562 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.522 ' HB ' ' HA ' ' A' ' 40' ' ' SER . 3.9 p -101.01 101.4 12.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.827 0.822 . . . . 0.0 110.447 176.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -110.52 34.62 3.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.561 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -125.5 135.23 52.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.531 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -115.17 0.32 13.52 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.067 -177.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.9 t -92.46 -49.23 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.361 0.6 . . . . 0.0 109.951 -178.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -92.54 -36.84 12.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.03 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 62.52 25.25 15.04 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.558 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.641 ' HG2' ' H ' ' A' ' 39' ' ' TRP . 24.9 ttmt -101.85 -164.85 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.447 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.641 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 31.9 m95 72.44 -67.52 0.26 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.003 0.521 . . . . 0.0 110.652 -175.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.522 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 26.1 m 64.8 -175.97 0.17 Allowed 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.784 0.677 . . . . 0.0 111.249 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 29' ' ' SER . 9.0 m -83.47 -0.15 48.91 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.812 -176.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 70.88 -55.29 0.65 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.316 0.647 . . . . 0.0 111.613 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -84.7 -4.99 59.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.957 0.408 . . . . 0.0 111.014 -178.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.726 ' HB2' HG12 ' A' ' 59' ' ' ILE . 13.2 tp -137.8 143.98 42.4 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD2' ' HG ' ' A' ' 44' ' ' LEU . 37.7 Cg_exo -63.21 -169.57 0.09 OUTLIER 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 123.248 2.632 . . . . 0.0 113.767 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -81.87 18.61 1.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.651 -176.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 p -65.4 158.08 27.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 111.481 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -74.92 104.64 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.334 0.588 . . . . 0.0 112.455 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.46 ' CE2' HD23 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -122.97 170.49 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.534 167.308 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -127.56 -52.98 1.36 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.4 p -112.55 164.09 13.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.356 -171.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.53 -40.62 80.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.65 -46.45 85.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.14 0.495 . . . . 0.0 109.726 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.08 -45.95 92.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.561 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 59' ' ' ILE . 2.7 tm? -56.79 -48.36 78.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.889 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -57.2 -49.89 74.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.511 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.41 HH21 ' CD ' ' A' ' 6' ' ' GLU . 97.5 mtt180 -67.77 -37.91 82.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 -179.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.3 92.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.115 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.726 HG12 ' HB2' ' A' ' 44' ' ' LEU . 51.7 mt -63.03 -49.84 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.652 0.263 . . . . 0.0 110.631 178.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.426 HG21 ' O ' ' A' ' 8' ' ' PHE . 70.2 mt -64.81 -39.55 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.225 0.536 . . . . 0.0 110.779 -178.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -66.76 -30.1 70.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.731 -177.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -100.46 -21.06 15.49 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -171.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.7 p -103.04 156.52 17.63 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.946 0.403 . . . . 0.0 111.119 -177.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.5 m -90.66 -30.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.126 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.85 -35.16 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.648 -176.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.418 ' HB3' HG12 ' A' ' 60' ' ' ILE . 76.4 m-85 -86.34 -21.68 27.11 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.155 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.402 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 32.7 t -72.51 -43.15 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 174.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.95 -57.91 3.65 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.77 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.61 128.58 51.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.4 0.619 . . . . 0.0 112.492 -173.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -141.68 151.49 43.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.058 172.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -97.92 -36.23 10.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.747 0.308 . . . . 0.0 110.736 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -127.31 -157.04 9.32 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.248 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.249 1.051 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -176.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.853 0.358 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.1 m -82.35 125.78 31.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.674 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -129.98 136.33 49.31 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.566 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 75.6 t60 -100.32 125.67 46.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -114.13 142.16 46.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.985 0.421 . . . . 0.0 110.299 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.654 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 7.6 tp10 -155.76 145.47 21.2 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.79 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.8 t -123.27 120.05 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.438 ' HE2' ' HB2' ' A' ' 61' ' ' ARG . 10.0 t80 -128.56 111.2 12.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.41 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 9.2 mm-40 57.0 30.74 18.68 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.823 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.32 -8.17 69.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.345 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.5 147.23 18.55 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' A' ' 24' ' ' ASN . 15.7 m -102.76 139.04 38.85 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.043 -176.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.654 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 58.4 mt -108.49 120.12 59.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 173.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -117.24 104.62 11.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.82 -176.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.566 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 65.2 mt -116.24 122.54 69.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 O-C-N 122.064 -0.398 . . . . 0.0 111.344 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.696 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 1.7 mp0 -102.11 125.46 48.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 t70 62.5 14.31 6.89 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.339 0.59 . . . . 0.0 111.317 173.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 66.92 9.63 6.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.165 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -119.89 -47.41 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.688 -174.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.696 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 22.3 t -78.75 124.96 28.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.807 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -108.52 116.83 32.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.152 0.501 . . . . 0.0 110.81 -175.84 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 137.55 42.63 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.728 172.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.6 mt -116.81 108.42 24.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.434 ' HA ' ' HB ' ' A' ' 12' ' ' THR . 61.6 t30 62.34 28.04 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.35 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.77 2.14 69.93 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.517 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -103.07 123.14 46.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.81 128.69 37.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.599 ' HB ' HD12 ' A' ' 21' ' ' LEU . 44.8 mm -108.59 132.85 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 -176.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 m -95.54 115.49 27.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.19 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.807 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 56.5 m-85 -118.43 170.6 8.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.967 173.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.38 87.49 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.258 0.552 . . . . 0.0 109.595 175.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' C ' ' H ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -103.66 96.54 6.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -178.792 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.1 t70 73.47 -26.11 0.19 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.562 0.745 . . . . 0.0 112.696 174.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' A' ' 32' ' ' HIS . . . -101.96 106.68 17.64 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.476 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.6 t -76.29 -24.99 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.351 0.596 . . . . 0.0 110.158 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -85.4 0.62 51.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.425 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -85.5 55.97 3.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.4 tptt 67.38 162.88 0.19 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.105 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -105.97 133.16 51.13 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.946 -0.471 . . . . 0.0 110.644 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.0 m 73.2 169.41 0.31 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.492 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 44' ' ' LEU . 4.0 m -66.17 148.27 52.08 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.782 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.501 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -68.55 -47.93 65.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.093 0.473 . . . . 0.0 110.915 -176.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -86.66 17.45 3.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.121 -176.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 41' ' ' SER . 16.5 tp -140.66 143.97 34.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.498 ' HD2' HD12 ' A' ' 44' ' ' LEU . 38.6 Cg_endo -68.58 -179.15 2.22 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.499 2.133 . . . . 0.0 112.613 177.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -84.5 43.8 0.99 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.159 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -76.93 171.07 15.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.314 179.637 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.411 ' H ' HG22 ' A' ' 47' ' ' THR . 7.4 pt20 -101.97 113.44 26.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.31 0.576 . . . . 0.0 109.907 178.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -120.68 -173.23 2.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.002 -175.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -115.45 -67.46 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -173.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.469 ' H ' ' HB3' ' A' ' 54' ' ' ASP . 2.6 p -134.09 -176.55 4.23 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -169.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.96 -43.45 62.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -174.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -64.87 -37.86 89.05 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 177.583 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.469 ' HB3' ' H ' ' A' ' 51' ' ' SER . 19.2 t70 -62.08 -44.62 96.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.422 174.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.8 mt -57.83 -51.28 70.24 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.525 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 60' ' ' ILE . . . -57.1 -47.03 82.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.17 -177.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -66.93 -32.6 73.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.185 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.16 -36.77 72.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.187 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.6 mt -68.72 -44.87 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.683 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 56' ' ' ALA . 70.4 mt -68.44 -43.42 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -175.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.438 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 5.0 ttp180 -71.96 -43.26 65.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -169.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.65 14.92 13.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -171.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.8 p -126.18 170.73 11.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.12 -6.14 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.609 0.718 . . . . 0.0 109.754 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -87.84 0.78 55.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.246 -173.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -126.52 16.4 7.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.3 t -144.47 155.75 43.86 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.39 -57.02 0.41 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.982 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.6 t -86.24 111.37 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.822 0.344 . . . . 0.0 110.135 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -88.11 -58.85 2.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.938 -175.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 65.15 96.4 0.05 OUTLIER 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.77 0.669 . . . . 0.0 110.623 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.82 116.2 3.32 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.689 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.281 -0.866 . . . . 0.0 109.879 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttm . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m -101.87 3.38 39.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.782 -171.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -89.03 106.47 18.46 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.712 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -98.67 126.18 44.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.219 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.518 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 2.5 m -129.63 141.37 50.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.773 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -159.22 161.64 36.11 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.174 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.1 t -112.71 127.23 70.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.796 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.402 ' HE2' ' HB2' ' A' ' 61' ' ' ARG . 39.4 t80 -118.12 107.41 13.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 55.04 20.56 3.29 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.095 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.32 -29.46 6.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.377 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.96 135.04 13.98 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.895 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 m -96.42 124.85 40.55 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.992 0.425 . . . . 0.0 111.44 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 5' ' ' THR . 71.2 mt -98.77 120.26 47.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.545 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -112.4 124.36 52.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.737 176.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.8 mt -110.32 120.0 60.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.216 0.532 . . . . 0.0 110.604 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.888 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 34.3 mm-40 -111.98 124.87 53.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.137 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.468 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 34.1 t70 57.34 23.92 9.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.568 173.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.468 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 13.9 t70 73.48 -24.7 0.2 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.104 177.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 p -103.64 -37.93 7.32 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.888 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 7.7 t -78.51 114.99 17.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.115 0.483 . . . . 0.0 110.349 -177.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -103.52 118.22 36.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.411 179.336 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 1.2 p -126.59 120.27 29.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.016 0.436 . . . . 0.0 111.066 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.4 HD11 ' HB1' ' A' ' 56' ' ' ALA . 83.1 mt -112.54 116.41 52.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 56.31 23.01 6.77 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.971 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.48 -0.74 58.36 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.123 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 22' ' ' THR . 14.1 mptt -95.43 138.87 32.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.006 0.403 . . . . 0.0 110.647 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -87.99 115.07 25.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.476 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.425 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 47.0 mm -102.96 135.88 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.336 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -136.65 158.65 43.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -117.49 157.31 26.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.19 -175.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.7 t -82.09 93.21 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 168.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -108.94 14.41 24.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.677 -170.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -99.07 -12.91 20.11 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.834 -176.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.587 ' HB3' ' HD1' ' A' ' 39' ' ' TRP . . . -66.12 109.06 2.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.479 -176.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.58 -36.17 52.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.527 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -88.06 27.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.76 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.1 m120 68.93 23.6 6.66 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.553 171.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 28.0 mmmt -78.68 36.56 0.27 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.558 176.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.587 ' HD1' ' HB3' ' A' ' 34' ' ' ALA . 35.9 m0 -68.85 117.24 10.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.325 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.1 m -153.05 173.55 15.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.06 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p -123.54 147.56 47.15 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 171.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -71.86 5.08 2.79 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.307 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.52 ' HB2' HD22 ' A' ' 44' ' ' LEU . 62.0 m-85 -97.42 -28.25 14.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.266 -178.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.52 HD22 ' HB2' ' A' ' 43' ' ' TYR . 2.8 mm? -115.94 88.05 20.39 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.077 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.12 139.69 61.99 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.619 2.212 . . . . 0.0 112.374 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 69.05 7.79 6.45 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.652 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.4 p 54.93 133.96 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.843 1.257 . . . . 0.0 113.531 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.449 ' HG2' ' HB3' ' A' ' 44' ' ' LEU . 10.4 pt20 -152.35 31.68 0.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.055 -176.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -134.53 156.41 48.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.065 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -84.74 -57.39 3.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.678 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.404 ' H ' ' HB2' ' A' ' 54' ' ' ASP . 8.4 t -142.47 -164.61 1.86 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.47 -51.01 70.46 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -173.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.98 -40.71 94.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.202 0.525 . . . . 0.0 110.181 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.404 ' HB2' ' H ' ' A' ' 51' ' ' SER . 18.5 m-20 -68.64 -32.25 71.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.575 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 59' ' ' ILE . 8.3 tt -56.84 -45.89 82.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.988 177.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.4 ' HB1' HD11 ' A' ' 23' ' ' ILE . . . -62.4 -43.17 99.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.935 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.81 -34.92 76.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.127 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.23 -38.06 87.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 55' ' ' LEU . 66.2 mt -62.77 -50.28 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.352 178.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.4 mt -59.92 -40.01 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.431 -176.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.402 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 27.7 ttt180 -79.36 -36.63 39.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -85.09 -25.9 27.26 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.468 -0.493 . . . . 0.0 112.123 -171.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.9 p -112.97 122.19 46.91 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.343 0.592 . . . . 0.0 110.369 178.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.73 -28.36 41.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.879 -173.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.91 -28.49 68.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.282 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -82.82 -4.22 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.872 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.3 m -95.58 -0.62 51.72 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 172.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.15 146.57 50.26 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.478 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.2 t 59.86 84.18 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 121.687 0.756 . . . . 0.0 110.229 -173.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -141.14 157.64 45.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.113 -175.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -126.14 -41.63 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.83 0.348 . . . . 0.0 110.333 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.45 -142.42 37.1 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.045 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.572 -0.727 . . . . 0.0 109.448 178.38 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 CA--C 1.535 0.399 0 CA-C-O 121.226 0.536 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -130.92 142.94 50.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.876 0.37 . . . . 0.0 110.489 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.405 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 60.1 t60 -112.94 118.77 35.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.366 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -101.16 141.5 33.96 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 174.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -155.97 139.4 15.81 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.4 t -113.49 113.31 43.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.089 0.471 . . . . 0.0 110.264 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -110.33 105.2 14.13 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 51.06 27.57 3.4 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.601 0.761 . . . . 0.0 112.992 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.84 -13.77 22.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.88 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.03 130.99 10.41 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.766 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.1 m -90.49 128.99 36.7 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.976 0.417 . . . . 0.0 110.927 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.2 mt -97.78 120.47 47.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.686 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -107.39 110.85 22.93 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.943 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.405 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 71.5 mt -114.58 119.26 61.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 172.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -119.63 140.35 50.75 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 120.755 0.312 . . . . 0.0 111.037 -173.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.4 t0 60.31 30.25 19.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.501 0.667 . . . . 0.0 110.32 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.12 19.62 10.16 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.981 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.4 -163.73 1.81 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.6 t 65.25 103.8 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.023 0.44 . . . . 0.0 111.91 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.579 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -90.67 115.64 27.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.35 140.23 44.9 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.083 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.7 mt -128.18 117.52 45.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 67.12 15.48 10.08 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.941 0.877 . . . . 0.0 109.819 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.41 -10.82 65.21 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.31 -176.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -84.66 129.23 34.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.311 . . . . 0.0 110.755 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.32 124.83 23.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.296 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.5 ' HB ' HD12 ' A' ' 21' ' ' LEU . 49.7 mm -103.81 101.71 12.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.156 0.503 . . . . 0.0 110.021 177.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -83.49 108.56 16.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.663 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.481 0 CA-C-O 121.164 0.507 . . . . 0.0 110.497 176.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 N--CA 1.444 -0.736 0 CA-C-O 120.782 0.325 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -62.48 -28.17 69.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.95 -172.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -86.2 -22.66 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.529 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.493 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 56.8 mt -130.79 84.7 57.77 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.089 0.471 . . . . 0.0 110.145 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.86 128.7 5.98 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 123.203 2.602 . . . . 0.0 113.128 -174.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 67.4 12.88 9.14 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.238 173.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' ' 44' ' ' LEU . 20.5 p -98.87 144.22 28.31 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -102.66 123.87 47.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.118 0.485 . . . . 0.0 111.342 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.84 168.29 12.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.733 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -94.69 -60.2 1.76 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.005 0.431 . . . . 0.0 111.788 -173.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -130.56 179.4 5.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.338 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 52' ' ' LEU . 1.2 tm? -72.89 -46.46 52.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.084 -175.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.89 -41.82 97.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.28 -43.76 88.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.764 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.554 ' O ' HG13 ' A' ' 59' ' ' ILE . 46.4 tp -56.57 -51.25 69.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.609 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.0 80.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.3 -177.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -71.53 -34.37 69.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.19 81.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.753 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 55' ' ' LEU . 71.9 mt -63.05 -50.53 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.69 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.23 -39.33 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.364 0.602 . . . . 0.0 110.664 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -67.54 -34.07 76.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.808 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -92.87 -25.25 18.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -171.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.468 ' HB ' ' OE1' ' A' ' 65' ' ' GLU . 46.6 p -118.47 122.64 43.23 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.062 0.458 . . . . 0.0 111.27 -178.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -75.4 -9.47 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.042 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.468 ' OE1' ' HB ' ' A' ' 63' ' ' THR . 22.7 mp0 -57.57 -37.47 73.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.038 177.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -92.55 -4.12 54.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.132 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 110.132 177.892 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 121.25 0.548 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 53.6 p-80 -130.25 114.16 15.31 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.872 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.498 ' HB3' HD12 ' A' ' 15' ' ' ILE . 61.3 t60 -104.36 118.21 36.07 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.238 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -130.61 124.1 30.97 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.54 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -156.25 171.3 20.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.51 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.8 t -121.67 121.01 63.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.522 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -111.48 105.75 14.44 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 50.54 33.05 7.36 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 111.783 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.72 -28.29 14.67 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.36 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.83 119.38 5.99 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.442 -0.885 . . . . 0.0 111.602 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -91.91 125.6 36.67 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 120.683 0.278 . . . . 0.0 110.267 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 5' ' ' THR . 63.8 mt -98.09 119.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.14 102.54 10.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.719 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.498 HD12 ' HB3' ' A' ' 4' ' ' HIS . 62.5 mt -112.62 120.12 62.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.914 0.388 . . . . 0.0 110.688 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.763 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 31.0 mt-10 -109.06 128.33 54.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.007 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.1 t70 60.52 20.19 9.97 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.907 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t70 61.07 17.67 8.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.934 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 p -131.96 -39.83 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.603 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.763 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 3.0 t -76.77 106.3 8.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.6 tp -104.61 116.35 31.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.207 0.527 . . . . 0.0 111.363 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.461 HG22 ' HA ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -135.16 141.62 45.96 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.066 176.189 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.5 113.3 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.558 0.218 . . . . 0.0 110.47 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 61.94 29.94 17.93 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.528 0.68 . . . . 0.0 110.786 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.93 -11.1 69.96 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.626 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.62 128.48 41.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.949 0.374 . . . . 0.0 110.065 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HA ' HG22 ' A' ' 22' ' ' THR . 27.6 tt0 -78.95 125.24 29.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.146 0.498 . . . . 0.0 110.355 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.4 mm -88.27 104.46 14.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.487 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.602 ' H ' ' HE2' ' A' ' 43' ' ' TYR . 33.5 m -60.53 100.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.521 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.454 ' HD1' ' HB3' ' A' ' 41' ' ' SER . 24.4 t80 . . . . . 0 C--N 1.321 -0.669 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.454 ' HB3' ' HD1' ' A' ' 30' ' ' TYR . 10.0 p . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 120.58 0.229 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -87.35 61.11 6.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.384 0.612 . . . . 0.0 110.729 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.602 ' HE2' ' H ' ' A' ' 29' ' ' SER . 67.7 m-85 -139.51 -62.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.129 175.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.483 ' HG ' ' HD2' ' A' ' 45' ' ' PRO . 13.0 tp -74.74 144.68 80.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.242 -0.89 . . . . 0.0 108.935 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.483 ' HD2' ' HG ' ' A' ' 44' ' ' LEU . 36.3 Cg_endo -65.62 -169.39 0.14 Allowed 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.411 2.074 . . . . 0.0 112.564 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -79.96 48.59 0.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.058 0.456 . . . . 0.0 111.56 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.02 171.01 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.466 174.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -82.95 95.49 8.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.339 0.59 . . . . 0.0 111.385 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.478 ' CE2' HD23 ' A' ' 44' ' ' LEU . 47.4 p90 -154.4 161.15 41.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.65 174.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -158.21 -25.96 0.08 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.342 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.4 m -83.86 145.82 28.43 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.327 -0.233 . . . . 0.0 110.942 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.78 -50.43 66.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 53' ' ' LEU . 4.1 mm? -69.14 -31.01 69.38 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.95 0.405 . . . . 0.0 110.654 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -66.39 -48.71 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.463 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.46 -46.55 83.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.658 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 -46.43 81.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -71.41 -39.13 71.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.309 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.72 94.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.215 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.0 mt -64.16 -48.75 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.888 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.95 -39.54 82.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.876 0.369 . . . . 0.0 110.928 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -75.57 -28.1 58.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.849 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -94.47 -25.26 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.87 -0.519 . . . . 0.0 111.96 -175.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.9 p -127.59 122.39 33.05 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.099 0.476 . . . . 0.0 111.183 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 m -75.32 -4.5 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.384 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.79 -20.08 63.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.207 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -114.54 6.31 15.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -173.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 p . . . . . 0 C--N 1.324 -0.536 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.488 -177.794 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 4.1 m . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.7 0.286 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 49.7 t-80 -105.27 126.4 52.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.126 0.489 . . . . 0.0 110.962 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.524 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 45.2 t60 -111.94 133.72 53.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.59 175.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.07 134.95 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.108 0.255 . . . . 0.0 110.861 178.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -159.31 156.79 29.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.714 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.1 t -107.52 128.21 62.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.001 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -119.1 106.9 12.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.31 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 48.58 36.38 7.48 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.206 0.603 . . . . 0.0 112.22 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.96 -12.98 41.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.289 -0.958 . . . . 0.0 113.19 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.26 159.69 19.31 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.71 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.6 m -116.8 128.04 54.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 117.203 0.502 . . . . 0.0 110.523 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.423 HG22 HG13 ' A' ' 15' ' ' ILE . 68.7 mt -106.16 120.04 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.07 -178.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -112.07 113.96 26.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.007 173.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.524 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 49.9 mt -118.38 124.39 73.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.314 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.862 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 29.3 mt-10 -123.36 116.9 24.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.184 0.516 . . . . 0.0 111.064 172.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 25.6 t70 46.95 49.98 14.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.271 174.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 11.6 t70 75.32 -52.62 0.66 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 172.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -89.19 -34.15 16.77 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -168.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.862 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 8.3 t -76.52 108.22 9.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD2' HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -127.51 122.62 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -176.146 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.21 120.94 19.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.928 0.394 . . . . 0.0 110.916 175.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.8 mt -106.07 108.95 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.094 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 63.65 19.63 11.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.1 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -9.11 55.61 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.613 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.99 124.45 31.7 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.574 -0.368 . . . . 0.0 110.163 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.57 112.11 5.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.488 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.44 ' HB ' HD12 ' A' ' 21' ' ' LEU . 45.1 mm -100.91 93.55 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.24 0.543 . . . . 0.0 109.823 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -88.33 121.79 31.12 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.958 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.512 ' HE1' HD22 ' A' ' 55' ' ' LEU . 73.9 m-85 . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.443 -0.807 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -55.57 -30.75 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -88.29 -0.7 57.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.454 HD23 ' HG ' ' A' ' 55' ' ' LEU . 20.9 tp -156.08 86.92 3.05 Favored Pre-proline 0 N--CA 1.465 0.284 0 CA-C-O 120.716 0.293 . . . . 0.0 110.852 -177.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.47 101.52 1.47 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.322 2.014 . . . . 0.0 113.88 -176.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.4 p90 42.29 59.28 2.72 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.75 1.22 . . . . 0.0 114.077 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.553 HG22 ' H ' ' A' ' 48' ' ' GLN . 2.7 m -88.86 177.23 6.75 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 171.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.553 ' H ' HG22 ' A' ' 47' ' ' THR . 62.1 tt0 -76.08 93.21 3.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.211 0.529 . . . . 0.0 110.571 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -129.13 152.84 48.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.534 174.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.59 -43.01 23.76 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.4 -177.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.463 ' H ' ' HB3' ' A' ' 54' ' ' ASP . 5.2 p -170.73 -166.21 0.48 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.471 -174.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.02 -48.66 79.3 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.82 -41.32 95.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.251 0.548 . . . . 0.0 110.119 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.545 ' HA ' HH11 ' A' ' 57' ' ' ARG . 24.1 t70 -71.03 -35.9 72.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.497 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.512 HD22 ' HE1' ' A' ' 30' ' ' TYR . 9.2 tt -62.24 -46.62 88.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.978 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.7 -40.65 76.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.463 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.545 HH11 ' HA ' ' A' ' 54' ' ' ASP . 18.8 mtp-105 -67.27 -40.17 86.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.034 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.66 -38.3 87.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.166 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.0 -40.9 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.785 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.5 mt -69.68 -46.56 74.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -174.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -81.9 -36.53 28.02 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.573 -171.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.91 6.25 22.39 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.533 -0.467 . . . . 0.0 112.124 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.9 p -114.43 176.63 4.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.4 p -113.49 -30.73 2.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.901 0.381 . . . . 0.0 111.163 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -85.73 -22.18 27.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -173.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -79.25 -9.95 59.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 111.328 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.395 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 53.0 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.715 0.293 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -111.9 140.05 46.88 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.574 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 74.6 t60 -135.53 123.5 22.73 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 -177.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 2.6 m -126.78 140.96 51.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.332 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -159.98 161.88 34.21 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.2 126.14 75.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.92 0.39 . . . . 0.0 110.582 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.486 ' O ' HG21 ' A' ' 60' ' ' ILE . 37.4 t80 -120.96 110.95 16.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.002 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 54.13 30.63 12.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.85 0.29 56.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.183 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.38 135.92 13.19 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.929 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 23' ' ' ILE . 31.6 m -98.93 128.45 45.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.787 0.294 . . . . 0.0 110.953 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 5' ' ' THR . 72.7 mt -98.52 120.27 47.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.244 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -109.13 108.32 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.929 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 53.8 mt -113.29 122.14 66.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 176.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -124.96 123.6 40.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.36 . . . . 0.0 111.178 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 t70 56.74 35.72 26.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.67 171.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 74.66 -32.44 0.23 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 173.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -95.85 -43.03 8.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 t -71.12 116.7 11.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -176.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.629 ' HG ' ' CE1' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -122.54 116.28 23.63 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 177.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.28 141.32 45.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.414 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 12' ' ' THR . 77.7 mt -125.32 113.13 33.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 62.75 22.42 13.36 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.967 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.57 5.53 71.75 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.574 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -101.27 127.24 47.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.76 122.99 18.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.973 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.604 ' HB ' HD12 ' A' ' 21' ' ' LEU . 48.5 mm -97.7 107.64 20.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.057 177.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -73.93 100.93 3.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.365 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.629 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 5.8 m-85 . . . . . 0 CA--C 1.516 -0.36 0 CA-C-O 121.206 0.527 . . . . 0.0 109.958 174.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.444 -0.766 0 CA-C-O 120.77 0.319 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -78.31 45.06 0.53 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 112.183 -172.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -123.88 -16.11 6.72 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.0 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -112.51 152.11 44.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.685 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.472 ' O ' ' HB2' ' A' ' 46' ' ' TYR . 12.8 Cg_exo -70.0 64.93 1.94 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.172 2.582 . . . . 0.0 111.683 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.472 ' HB2' ' O ' ' A' ' 45' ' ' PRO . 20.5 m-85 73.74 -53.86 0.69 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.927 0.891 . . . . 0.0 110.598 -176.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -142.61 146.25 34.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.682 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -170.13 23.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -169.66 165.26 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.136 -170.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -115.91 -48.6 2.74 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 172.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.0 m -96.9 160.79 14.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.998 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -73.18 -29.93 63.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.304 -176.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -68.01 -42.04 81.27 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.018 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.91 -31.18 72.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.824 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 59' ' ' ILE . 6.9 tt -53.67 -48.96 68.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.998 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.51 95.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.377 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -70.95 -36.83 72.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.26 85.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.789 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 55' ' ' LEU . 77.0 mt -62.2 -50.95 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.296 178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.486 HG21 ' O ' ' A' ' 8' ' ' PHE . 64.7 mt -60.75 -39.53 82.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.209 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -69.98 -43.61 71.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.652 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -25.67 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -172.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.1 p -107.74 94.02 4.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.715 0.769 . . . . 0.0 109.392 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.5 t -69.42 -6.02 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.099 -172.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -72.68 -13.49 61.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.27 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -96.98 7.97 45.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.864 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.324 -0.516 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.823 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.6 p . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.713 0.768 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.43 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . 8.5 p-80 -112.83 130.33 56.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.367 171.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.459 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.5 t60 -98.45 117.82 33.73 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.886 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.67 137.07 35.25 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.73 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 6.3 tp10 -147.32 153.81 40.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 11' ' ' GLY . 95.9 t -122.53 113.36 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.88 0.371 . . . . 0.0 110.277 175.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.453 ' HB3' HD12 ' A' ' 60' ' ' ILE . 82.8 t80 -110.99 107.35 16.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.12 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 56.65 23.98 8.37 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.561 0.538 . . . . 0.0 111.729 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.84 -18.0 24.68 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.628 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 7' ' ' VAL . . . -86.76 149.15 22.19 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.171 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.8 m -100.77 116.44 32.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.09 0.471 . . . . 0.0 111.051 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.73 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 69.6 mt -98.83 121.4 49.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.509 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -116.02 103.46 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.513 HG13 HG22 ' A' ' 13' ' ' ILE . 63.9 mt -109.81 119.71 59.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.779 0.323 . . . . 0.0 110.799 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.633 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 43.7 mt-10 -111.52 123.4 50.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.842 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t70 58.08 22.93 9.5 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.524 0.515 . . . . 0.0 110.649 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 45.04 29.34 0.47 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.349 1.06 . . . . 0.0 112.506 -174.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 p -137.45 -52.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.815 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.633 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 37.3 m -67.49 115.66 7.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.749 172.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.823 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -120.11 126.64 51.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.277 0.56 . . . . 0.0 111.823 -173.744 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.11 141.67 44.19 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.032 174.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.53 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 55.9 mt -127.64 118.57 49.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 m120 57.07 21.06 6.0 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.17 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.8 -5.75 43.47 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.716 175.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 15.6 ptpt -108.64 147.83 31.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.761 0.78 . . . . 0.0 110.865 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.51 133.95 43.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.169 -171.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.823 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 50.8 mm -105.93 142.12 19.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.105 177.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -128.47 120.36 26.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.847 0.356 . . . . 0.0 110.615 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 55' ' ' LEU . 21.0 m-85 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.41 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.449 -0.503 0 CA-C-O 120.646 0.26 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -63.47 -24.34 67.78 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.159 -172.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -67.91 -22.25 65.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.115 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.412 HD21 HG12 ' A' ' 59' ' ' ILE . 3.0 mm? -118.66 156.94 51.04 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.232 -178.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.464 ' HG2' ' OG1' ' A' ' 47' ' ' THR . 60.4 Cg_endo -75.67 -178.03 4.01 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.175 1.917 . . . . 0.0 111.625 172.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -82.54 52.46 2.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.394 0.616 . . . . 0.0 111.627 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.464 ' OG1' ' HG2' ' A' ' 45' ' ' PRO . 0.2 OUTLIER -83.48 169.16 15.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.695 174.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -86.18 91.77 8.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.33 0.586 . . . . 0.0 111.765 -177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.502 ' CD1' HD21 ' A' ' 55' ' ' LEU . 9.8 p90 -123.65 167.8 13.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.052 171.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -156.88 -35.75 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.678 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.8 m -88.4 139.77 30.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.805 0.336 . . . . 0.0 111.435 -174.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.58 -37.11 84.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.667 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 tm? -63.78 -39.57 94.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.572 ' HA ' ' HE ' ' A' ' 57' ' ' ARG . 31.4 t70 -64.53 -42.81 95.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.768 178.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 1.7 mm? -55.11 -47.34 75.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.281 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.45 -39.03 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.143 0.497 . . . . 0.0 111.185 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HE ' ' HA ' ' A' ' 54' ' ' ASP . 47.7 mtm180 -71.54 -43.87 65.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.091 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.5 -37.76 79.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.018 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 55' ' ' LEU . 75.5 mt -62.85 -50.18 80.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.996 178.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 8' ' ' PHE . 64.7 mt -68.44 -38.54 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.978 0.418 . . . . 0.0 110.886 -177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -72.07 -36.49 69.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.839 -175.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -93.33 -25.74 17.6 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -170.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.51 130.07 34.06 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.525 0.679 . . . . 0.0 110.666 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -99.44 -4.18 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.335 -169.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.04 -5.04 15.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.24 0.543 . . . . 0.0 110.814 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -92.67 -9.17 41.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.2 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 121.203 0.525 . . . . 0.0 110.687 176.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 m . . . . . 0 C--O 1.233 0.189 0 CA-C-O 121.085 0.469 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -109.97 143.88 39.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.575 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.5 t60 -123.29 126.22 46.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.871 0.367 . . . . 0.0 110.988 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -97.74 141.2 31.04 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 170.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.984 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 10.7 tp10 -146.3 143.58 29.24 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -174.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.3 t -123.35 118.2 53.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -116.63 107.03 14.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 57.31 18.62 4.44 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.217 0.607 . . . . 0.0 111.912 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.98 -16.99 22.72 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.481 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.3 141.75 24.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.914 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -91.5 116.5 28.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.597 0.237 . . . . 0.0 110.793 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.984 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.2 mt -101.26 119.42 49.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.874 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -108.47 104.77 14.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.552 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.575 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 56.7 mt -110.86 126.9 68.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.167 0.508 . . . . 0.0 111.325 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.719 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 10.3 mm-40 -114.4 124.14 51.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.845 175.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 62.96 14.97 7.97 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.308 0.575 . . . . 0.0 111.133 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.532 ' HA ' ' CG2' ' A' ' 15' ' ' ILE . 12.9 t70 66.37 5.54 3.79 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.528 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 p -125.07 -42.35 2.03 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 122.192 -0.317 . . . . 0.0 111.713 -178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.719 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 17.3 m -64.63 114.35 4.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.767 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.99 115.54 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.027 0.442 . . . . 0.0 111.134 -172.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.98 139.11 42.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.98 170.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.5 mt -128.85 120.43 52.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 60.74 22.94 12.86 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.571 0.701 . . . . 0.0 110.492 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 -12.34 66.57 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.818 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -97.26 130.33 44.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.848 -0.207 . . . . 0.0 110.463 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -80.65 142.06 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 59' ' ' ILE . 49.5 mm -105.41 127.23 60.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.03 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.4 m -62.5 103.89 0.46 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.313 0.577 . . . . 0.0 110.338 174.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.516 -176.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m . . . . . 0 N--CA 1.449 -0.525 0 CA-C-O 120.812 0.339 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -67.83 -10.56 53.98 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -169.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -79.66 -12.27 59.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.91 HD11 HG12 ' A' ' 59' ' ' ILE . 5.3 mp -120.41 88.57 42.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.026 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.24 96.9 0.15 Allowed 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.904 2.403 . . . . 0.0 112.627 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.5 p90 43.47 56.88 4.15 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.288 1.035 . . . . 0.0 113.169 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.551 ' OG1' ' HB3' ' A' ' 44' ' ' LEU . 37.0 p -105.83 165.08 11.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.202 175.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -97.51 134.64 40.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.002 0.429 . . . . 0.0 110.943 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -158.89 176.09 12.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.271 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -143.4 -49.96 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -97.97 165.55 11.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.04 -171.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.3 tt -72.97 -46.27 53.28 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -67.79 -37.36 81.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.086 0.47 . . . . 0.0 110.309 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -60.31 -42.74 96.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.152 174.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.606 ' O ' HG13 ' A' ' 59' ' ' ILE . 50.3 tp -57.6 -50.39 73.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.718 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.77 -42.98 80.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.63 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -70.95 -34.64 71.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.801 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.15 77.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.91 HG12 HD11 ' A' ' 44' ' ' LEU . 71.2 mt -61.72 -49.92 82.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.5 178.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.14 -39.57 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.615 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -63.11 -32.62 74.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.042 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -92.79 -5.64 50.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 0.0 111.634 -173.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.3 p -126.41 138.91 53.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.378 0.609 . . . . 0.0 111.367 -178.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 p -90.98 -5.72 10.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.756 0.789 . . . . 0.0 109.537 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.3 -43.52 98.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.898 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -88.76 -31.71 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.052 0.453 . . . . 0.0 110.428 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.639 179.326 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 6.7 p . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.44 0.162 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.579 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 1.7 m170 -122.45 105.25 9.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.238 0.542 . . . . 0.0 110.5 175.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.579 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 86.4 t60 -103.75 120.7 41.48 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.442 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -119.51 128.86 54.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.806 -178.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -136.72 148.22 47.19 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.2 t -112.31 122.6 66.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.911 0.386 . . . . 0.0 110.312 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -115.88 105.29 12.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.581 177.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 51.24 27.11 3.31 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.161 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.63 -25.43 9.65 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.943 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.41 134.23 12.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.641 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -95.73 124.82 39.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.995 0.426 . . . . 0.0 111.476 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 5' ' ' THR . 74.8 mt -98.15 120.38 47.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.921 177.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.38 109.24 18.38 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.581 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 41.8 mt -109.8 127.34 66.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.592 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 14.0 tt0 -125.37 132.32 52.82 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.029 0.443 . . . . 0.0 110.995 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 1.3 t70 49.0 40.96 18.21 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.097 165.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 6.0 t70 74.97 -52.65 0.67 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 173.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -95.0 -21.96 18.25 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -168.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.592 ' HB2' ' HB3' ' A' ' 16' ' ' GLU . 19.3 m -93.42 105.7 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.112 0.482 . . . . 0.0 111.635 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.59 ' HB3' ' HE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -102.98 120.69 41.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.993 176.679 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p -129.6 141.75 50.89 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.002 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.1 mt -126.07 120.33 56.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 64.19 12.61 7.23 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.332 0.587 . . . . 0.0 110.636 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.0 -35.15 4.17 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.061 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.445 ' NZ ' ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.21 147.89 25.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.009 0.404 . . . . 0.0 111.392 -175.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.8 144.41 52.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.161 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.416 ' CG1' HD12 ' A' ' 21' ' ' LEU . 36.8 mm -100.74 136.23 33.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 174.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 m -98.25 132.85 43.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.495 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.59 ' HE2' ' HB3' ' A' ' 21' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.514 -0.416 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -175.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.444 -0.739 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -77.77 72.34 4.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.493 0.663 . . . . 0.0 111.401 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -143.4 -63.9 0.39 Allowed 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.906 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 59' ' ' ILE . 7.2 mp -101.02 162.24 21.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.682 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 44' ' ' LEU . 40.5 Cg_endo -68.39 83.17 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.568 2.179 . . . . 0.0 112.359 177.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 70.89 -69.47 0.18 Allowed 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 124.225 1.01 . . . . 0.0 110.114 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 p 52.9 141.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.385 1.474 . . . . 0.0 113.964 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -95.49 106.17 18.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.787 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -136.68 143.4 43.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.223 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -126.09 -10.56 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.204 0.526 . . . . 0.0 110.746 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.427 ' HB3' ' CB ' ' A' ' 54' ' ' ASP . 41.3 t -112.03 138.5 48.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.192 176.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.525 HD21 HD23 ' A' ' 21' ' ' LEU . 10.1 tt -64.79 -40.97 96.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.925 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.65 -40.08 92.09 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.484 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.427 ' CB ' ' HB3' ' A' ' 51' ' ' SER . 38.8 t70 -64.98 -41.72 95.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.358 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.38 -50.79 71.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.268 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.98 92.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.66 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -69.56 -32.8 71.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.102 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.2 90.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.634 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.538 ' HA ' HD11 ' A' ' 44' ' ' LEU . 65.5 mt -62.64 -51.26 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.387 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.5 mt -60.28 -38.84 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.029 0.443 . . . . 0.0 111.167 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -63.56 -43.47 96.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.557 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.89 -19.03 21.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.5 p -113.35 93.93 4.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.819 0.818 . . . . 0.0 109.239 172.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.1 m -74.1 -9.44 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.542 -167.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -77.88 -1.5 32.02 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.738 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -78.42 -21.39 49.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.043 0.449 . . . . 0.0 110.36 173.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.327 -0.4 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 173.814 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.45 -0.43 0 CA-C-O 121.305 0.574 . . . . 0.0 109.751 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -116.51 136.17 53.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.436 -0.802 . . . . 0.0 108.919 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.548 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 80.3 t60 -98.86 116.97 32.29 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.25 123.83 38.97 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.643 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 5.1 tp10 -147.04 136.66 22.95 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.3 p -116.74 128.04 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.231 0.539 . . . . 0.0 110.659 177.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.478 ' O ' HG21 ' A' ' 60' ' ' ILE . 47.4 t80 -129.99 110.08 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.181 -178.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 52.88 41.53 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.105 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.51 -13.95 56.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.756 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.17 132.99 11.53 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.347 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 m -88.95 131.44 35.15 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 120.972 0.415 . . . . 0.0 110.949 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.643 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.2 mt -98.44 119.39 46.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -114.63 102.77 10.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.087 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.548 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 66.2 mt -113.02 119.26 60.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -106.15 129.31 54.24 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.126 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.433 ' C ' ' H ' ' A' ' 19' ' ' THR . 35.2 t70 61.38 13.29 4.88 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 124.005 0.816 . . . . 0.0 111.922 169.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 64.77 -9.34 0.19 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.254 0.621 . . . . 0.0 111.791 -174.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.433 ' H ' ' C ' ' A' ' 17' ' ' ASP . 13.1 m -94.59 -33.72 12.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.894 0.378 . . . . 0.0 111.369 -174.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -101.64 148.48 25.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.377 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.402 HD12 ' HB ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -127.56 116.3 20.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.326 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.23 137.66 42.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.485 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.495 ' C ' ' H ' ' A' ' 25' ' ' GLY . 72.6 mt -114.29 114.13 45.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 71.04 -33.91 0.28 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.718 0.807 . . . . 0.0 111.269 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' A' ' 23' ' ' ILE . . . 159.15 -20.11 0.28 Allowed Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.242 -177.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 27' ' ' GLU . 10.5 tmtt? -79.19 131.37 36.18 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -76.52 134.82 39.36 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.016 0.436 . . . . 0.0 110.855 -176.536 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.402 ' HB ' HD12 ' A' ' 21' ' ' LEU . 48.5 mm -101.69 123.18 54.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.979 0.419 . . . . 0.0 111.439 -175.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.9 p -74.2 146.72 43.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.88 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.6 t80 . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -175.758 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.442 -0.839 0 CA-C-O 120.798 0.332 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 63.51 25.75 14.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.798 0.808 . . . . 0.0 110.403 -174.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -101.73 -56.4 2.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.351 -0.84 . . . . 0.0 108.967 174.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.488 HD22 ' HB1' ' A' ' 58' ' ' ALA . 8.5 mp -104.45 158.92 30.93 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.061 172.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' A' ' 47' ' ' THR . 31.3 Cg_exo -59.39 -163.39 0.02 OUTLIER 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 123.342 2.695 . . . . 0.0 113.261 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -74.03 30.44 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.773 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.425 ' H ' ' C ' ' A' ' 45' ' ' PRO . 16.9 p -63.09 155.33 28.2 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.837 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -76.67 97.66 4.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.76 -173.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -137.39 137.91 39.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.327 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -147.47 3.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.199 0.523 . . . . 0.0 111.404 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 61.8 m -111.85 140.22 46.68 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.022 -0.424 . . . . 0.0 109.862 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 52' ' ' LEU . 3.8 mm? -63.32 -41.37 98.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.704 0.288 . . . . 0.0 110.85 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.602 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 tm? -68.7 -40.32 80.07 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.413 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 27.0 t70 -62.65 -46.96 85.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.854 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.45 -43.41 93.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.295 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.72 93.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.114 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.602 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 63.6 mtm180 -65.93 -45.27 82.49 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.682 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.488 ' HB1' HD22 ' A' ' 44' ' ' LEU . . . -57.4 -39.51 76.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -176.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.51 -50.14 69.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.718 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 8' ' ' PHE . 70.0 mt -63.26 -38.36 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.362 0.601 . . . . 0.0 110.597 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -63.14 -37.62 87.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.756 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -96.06 -25.8 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.8 p -116.76 118.55 32.83 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.246 0.546 . . . . 0.0 110.818 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.5 m -80.76 -7.32 10.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.635 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.39 -31.36 72.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.41 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -84.45 3.25 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 111.111 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 t . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.41 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.8 p . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.411 0.624 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 31.9 p-80 -128.52 135.55 49.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.752 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.516 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 86.2 t60 -109.03 118.02 35.71 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -94.56 138.33 32.58 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.045 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.967 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 4.7 tp10 -143.54 136.76 27.9 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.8 t -115.91 116.64 52.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.416 ' O ' HG21 ' A' ' 60' ' ' ILE . 11.2 t80 -129.1 108.25 10.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.127 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 56.64 25.47 10.04 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.854 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.04 -5.11 52.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.767 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.58 144.71 17.25 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.51 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.2 m -105.05 116.68 32.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.967 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.4 mt -97.2 119.82 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.862 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -113.24 105.36 13.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.583 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.516 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 66.2 mt -110.48 120.7 61.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.768 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 33.9 mt-10 -119.92 123.38 43.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.062 0.458 . . . . 0.0 112.224 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 17.8 t70 45.14 48.64 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.444 -1.253 . . . . 0.0 112.218 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 2.3 t70 75.14 -53.19 0.66 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 173.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 m -90.32 -31.39 16.94 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -167.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.768 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 4.2 t -79.49 104.31 10.01 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.45 HD22 HG12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -110.31 115.57 29.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.151 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.73 141.62 46.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.592 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.5 mt -129.29 116.33 39.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 65.44 8.54 5.09 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.572 0.545 . . . . 0.0 111.797 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.86 -10.93 49.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.805 -175.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -85.85 137.74 32.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.65 140.18 35.81 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.163 -178.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.0 mm -109.4 96.67 4.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.2 t -91.08 99.22 12.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.788 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.438 ' HE1' HD22 ' A' ' 55' ' ' LEU . 13.6 m-85 . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 172.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.444 -0.766 0 CA-C-O 120.689 0.281 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 74.68 -46.33 0.6 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.739 0.816 . . . . 0.0 111.602 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -60.76 -34.5 74.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.799 0.333 . . . . 0.0 111.405 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.862 HD11 HG12 ' A' ' 59' ' ' ILE . 6.6 mp -98.18 144.02 27.31 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.935 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -83.06 82.94 2.03 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.046 2.497 . . . . 0.0 112.27 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.0 p90 44.2 30.18 0.42 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.563 1.145 . . . . 0.0 113.281 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.24 165.16 19.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.878 0.37 . . . . 0.0 110.511 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -88.81 129.49 35.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.164 0.507 . . . . 0.0 111.583 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.545 ' CG ' ' HG ' ' A' ' 55' ' ' LEU . 7.8 p90 -159.04 158.48 33.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.023 175.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -136.45 -42.94 0.62 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.573 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 16.1 m -108.22 170.71 7.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.139 -170.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.4 -51.84 32.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -173.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.6 -38.24 77.2 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.073 0.464 . . . . 0.0 109.769 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.95 -41.77 88.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.609 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.642 ' O ' HG13 ' A' ' 59' ' ' ILE . 1.4 tt -69.05 -51.03 43.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.896 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.421 ' HA ' HD12 ' A' ' 59' ' ' ILE . . . -57.35 -43.09 83.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.931 -177.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -69.17 -31.15 69.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.969 0.414 . . . . 0.0 110.8 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.15 -33.93 72.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.503 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.862 HG12 HD11 ' A' ' 44' ' ' LEU . 62.9 mt -61.66 -50.83 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.334 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.416 HG21 ' O ' ' A' ' 8' ' ' PHE . 70.7 mt -65.52 -39.84 86.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -177.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 28.7 ttt85 -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.452 -175.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -105.89 -24.93 12.34 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.865 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.6 p -124.65 110.34 14.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.242 0.544 . . . . 0.0 110.734 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 t -71.36 -18.71 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.131 -172.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.51 -4.45 11.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -100.71 7.26 43.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.46 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.329 -0.305 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.35 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.6 m . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 13.8 p-80 -123.29 137.72 54.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.774 -178.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 57.5 t60 -106.05 120.2 41.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.286 170.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -106.06 137.71 43.52 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -149.56 136.19 19.35 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 11' ' ' GLY . 61.0 t -107.45 115.94 49.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.239 0.542 . . . . 0.0 111.346 -176.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -112.21 106.35 14.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.647 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.419 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 5.2 mm-40 54.41 36.35 25.27 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.107 0.479 . . . . 0.0 111.698 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.49 -11.99 70.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.313 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 7' ' ' VAL . . . -86.17 140.16 17.4 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.406 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.4 m -102.09 117.1 34.08 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.049 0.452 . . . . 0.0 110.815 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.4 mt -96.47 119.92 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.476 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -115.89 116.73 28.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.733 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.553 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 60.2 mt -109.65 120.25 60.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 1.016 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 42.1 mt-10 -101.96 115.98 31.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.467 -178.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 27.8 t70 51.54 42.37 29.42 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.877 170.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.465 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 19.8 t70 75.17 -12.36 0.97 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 172.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.4 p -120.93 -54.6 2.02 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -173.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 1.016 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 8.4 t -65.49 117.16 7.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.736 0.303 . . . . 0.0 110.948 -172.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.663 HD12 ' HB ' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -99.43 116.37 31.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -130.94 138.66 49.84 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.693 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.0 mt -127.44 119.66 52.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 61.36 16.94 7.86 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.073 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.19 -21.69 32.84 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.468 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -89.14 129.13 35.79 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.4 140.19 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.816 0.341 . . . . 0.0 110.652 -176.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.663 ' HB ' HD12 ' A' ' 21' ' ' LEU . 47.4 mm -104.36 120.33 54.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.951 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 m -94.36 109.49 21.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.984 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.5 p90 . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 121.475 0.655 . . . . 0.0 111.36 176.361 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.445 -0.691 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 58.15 -36.34 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 126.003 1.721 . . . . 0.0 115.241 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -67.81 -25.47 65.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.441 0.564 . . . . 0.0 111.545 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.85 153.64 37.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -66.08 -172.78 0.29 Allowed 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.154 2.569 . . . . 0.0 112.655 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -82.68 41.63 0.73 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.161 -175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 48' ' ' GLN . 1.0 OUTLIER -105.59 170.81 7.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.458 ' H ' HG22 ' A' ' 47' ' ' THR . 15.7 pt20 -105.4 123.68 48.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.251 0.548 . . . . 0.0 110.313 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -134.59 120.81 20.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.619 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -106.68 -21.89 12.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.969 0.414 . . . . 0.0 110.546 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.837 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 10.5 m -79.13 126.54 30.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.484 HD11 HD23 ' A' ' 21' ' ' LEU . 2.8 tm? -65.2 -44.62 87.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.036 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.97 -34.11 77.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.837 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 8.8 t0 -65.84 -41.34 91.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.452 ' O ' HG13 ' A' ' 59' ' ' ILE . 8.9 tt -59.88 -49.93 75.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.117 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.42 90.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.366 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -67.31 -39.41 85.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.967 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.49 -34.27 72.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.842 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 55' ' ' LEU . 82.8 mt -62.9 -51.04 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.49 178.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.33 -38.87 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.768 0.794 . . . . 0.0 109.659 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -58.42 -43.84 88.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.475 -1.238 . . . . 0.0 112.279 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.13 -0.41 26.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -172.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.488 ' OG1' ' HD2' ' A' ' 66' ' ' PHE . 64.2 p -120.28 126.6 50.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.126 0.488 . . . . 0.0 110.039 173.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.28 -31.0 42.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.176 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -74.92 -16.37 60.66 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -173.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.488 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 50.1 m-85 -92.39 -13.11 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.618 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 C--N 1.328 -0.367 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.679 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 121.341 0.591 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.482 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . 17.2 p-80 -121.78 138.23 54.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.371 175.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -108.44 123.33 48.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.437 -176.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.11 134.11 54.76 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.49 176.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -160.62 163.22 32.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.741 176.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.8 t -116.08 124.8 72.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 174.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -111.51 106.28 15.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.098 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 49.57 31.21 3.98 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 175.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.42 -20.97 20.27 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.72 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.55 136.17 13.06 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.822 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -88.49 130.87 35.11 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.473 0.177 . . . . 0.0 110.871 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -102.78 119.12 50.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.871 0.367 . . . . 0.0 110.219 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -120.26 102.4 8.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.299 175.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.476 HG12 HD22 ' A' ' 21' ' ' LEU . 63.9 mt -119.77 122.92 69.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.795 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 27.3 mt-10 -121.79 117.38 26.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.22 0.533 . . . . 0.0 112.126 178.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 t0 48.84 40.89 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.481 -1.236 . . . . 0.0 112.625 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t70 74.04 -35.71 0.31 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.861 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.2 p -79.56 -49.31 12.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.795 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 19.1 t -73.78 96.25 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.465 -177.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.993 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -105.79 113.12 26.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 173.378 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.87 124.5 22.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 178.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.8 mt -106.33 107.7 23.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 58.01 20.53 6.91 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.046 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.25 -19.8 13.02 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.762 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -88.15 122.85 32.19 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.444 -0.445 . . . . 0.0 110.574 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 12.4 pt-20 -80.48 120.4 24.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.412 0.625 . . . . 0.0 109.675 175.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.2 mm -90.47 116.88 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.738 -175.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 p -74.79 111.89 10.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.256 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.993 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 78.2 m-85 . . . . . 0 CA--C 1.514 -0.412 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.804 174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.449 -0.517 0 CA-C-O 120.926 0.394 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 42' ' ' ARG . 15.0 tpt180 -68.56 -36.24 78.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.26 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.56 -25.56 61.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.955 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.519 HD22 ' HA ' ' A' ' 59' ' ' ILE . 34.7 tp -152.75 87.19 4.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 0.0 109.912 -179.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -76.17 119.6 5.38 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.185 2.59 . . . . 0.0 113.62 -171.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 57.59 64.53 1.55 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.491 170.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.78 172.8 11.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.021 176.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -90.33 86.58 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.505 ' CD1' HD13 ' A' ' 55' ' ' LEU . 50.3 p90 -131.9 171.15 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.068 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -115.7 -45.35 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.84 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.7 p -118.37 168.19 10.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.792 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.7 tp -70.2 -33.06 71.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.119 0.485 . . . . 0.0 110.065 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -42.26 87.35 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.26 -37.66 88.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.292 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.505 HD13 ' CD1' ' A' ' 49' ' ' TYR . 57.4 tp -62.64 -44.72 95.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.973 177.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.76 -44.11 81.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.98 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.82 -34.21 71.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.837 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.64 74.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.884 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.519 ' HA ' HD22 ' A' ' 44' ' ' LEU . 64.5 mt -64.56 -49.93 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.933 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.88 -40.32 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.388 0.614 . . . . 0.0 110.159 178.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -59.06 -36.08 74.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.763 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.11 -25.35 17.19 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -173.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.1 p -82.3 137.33 34.84 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.518 0.675 . . . . 0.0 111.629 -175.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.7 m -97.54 -24.35 4.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.449 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -75.21 -33.77 61.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.962 0.41 . . . . 0.0 111.168 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -74.75 -25.76 59.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 109.879 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.3 176.353 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 m . . . . . 0 CA--C 1.519 -0.246 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.6 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 4.7 p-80 -120.99 135.83 55.12 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.458 0.647 . . . . 0.0 111.815 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -98.56 120.84 39.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.301 175.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.688 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 11.1 m -131.16 139.55 49.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.202 0.525 . . . . 0.0 110.687 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -159.78 142.47 13.71 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.985 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.6 t -96.36 116.36 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.007 0.432 . . . . 0.0 110.064 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.412 ' HE2' ' HB2' ' A' ' 61' ' ' ARG . 40.7 t80 -109.76 106.34 15.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.456 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 54.47 18.92 2.12 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.46 -17.44 14.05 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.667 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.51 133.22 11.41 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.608 ' H ' ' HB2' ' A' ' 24' ' ' ASN . 19.6 m -96.09 125.24 40.49 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.646 0.26 . . . . 0.0 111.139 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.688 ' O ' ' HA ' ' A' ' 5' ' ' THR . 69.7 mt -97.9 119.81 46.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -126.29 113.58 17.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.6 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 61.7 mt -119.6 119.22 59.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -114.14 128.22 56.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.138 0.494 . . . . 0.0 111.867 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 t0 61.4 29.58 18.57 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.412 171.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.4 t70 66.38 17.87 10.76 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.921 0.867 . . . . 0.0 110.292 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 p -140.23 -166.24 2.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.962 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 m 53.14 82.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.435 0.46 . . . . 0.0 111.75 172.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.916 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -89.73 114.77 26.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.696 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -135.27 129.38 33.49 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.612 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.447 HD12 HG13 ' A' ' 28' ' ' ILE . 67.3 mt -118.77 106.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.608 ' HB2' ' H ' ' A' ' 12' ' ' THR . 61.5 t30 50.56 50.98 17.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.164 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.38 -9.75 66.33 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.714 -0.675 . . . . 0.0 113.174 177.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -96.88 141.42 30.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.652 -0.322 . . . . 0.0 110.245 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.38 130.07 39.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.272 0.558 . . . . 0.0 110.461 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.734 ' HB ' HD12 ' A' ' 21' ' ' LEU . 29.6 mm -116.21 104.69 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.541 -176.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 m -75.97 -26.26 56.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.275 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.916 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 95.2 m-85 . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -170.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 N--CA 1.442 -0.863 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 42' ' ' ARG . 14.0 ptm180 -58.19 -27.88 64.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 111.731 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.429 ' C ' HD12 ' A' ' 44' ' ' LEU . 93.4 m-85 -74.67 -33.62 62.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.025 0.44 . . . . 0.0 110.488 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 62' ' ' ASP . 8.9 mp -128.98 83.34 66.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.176 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.51 139.1 30.84 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.434 2.09 . . . . 0.0 113.034 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 61.44 22.86 13.21 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.302 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.684 HG21 ' HB3' ' A' ' 44' ' ' LEU . 6.6 p -76.89 150.59 36.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.906 0.384 . . . . 0.0 111.445 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -99.87 127.11 46.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.788 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -150.74 172.53 15.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.242 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -125.14 -46.76 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.212 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.5 t -111.47 164.29 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -176.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.96 -40.56 65.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.849 0.357 . . . . 0.0 110.526 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.38 -39.8 89.31 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.73 -42.8 93.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.529 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.465 ' O ' HG13 ' A' ' 59' ' ' ILE . 1.3 tt -59.37 -46.64 88.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.268 178.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.08 82.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -66.86 -38.54 86.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.49 75.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 55' ' ' LEU . 84.5 mt -62.23 -48.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.584 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.411 HG21 ' O ' ' A' ' 8' ' ' PHE . 61.3 mt -69.39 -40.66 80.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.217 0.532 . . . . 0.0 110.964 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.412 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 50.0 ttt180 -62.99 -38.04 89.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.94 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.689 ' HB3' HD21 ' A' ' 44' ' ' LEU . 17.8 t70 -89.99 -1.76 58.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.671 -172.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.1 p -116.04 -174.71 2.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.866 0.365 . . . . 0.0 111.145 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.5 t -129.81 -50.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.344 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -85.78 18.19 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -173.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.57 -3.26 58.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.025 0.44 . . . . 0.0 110.599 174.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.3 t . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.608 174.844 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 CA--C 1.535 0.368 0 CA-C-O 122.181 0.991 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 1.4 p80 -99.52 143.63 29.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.912 -172.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -113.8 118.2 33.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.51 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.28 128.45 55.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.834 177.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -155.99 145.14 20.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.58 -172.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.9 t -113.48 125.21 70.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.861 0.362 . . . . 0.0 110.035 176.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.418 ' O ' HG21 ' A' ' 60' ' ' ILE . 42.8 t80 -125.87 107.39 10.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.111 -177.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 56.7 29.31 15.6 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.719 0.408 . . . . 0.0 111.774 176.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.01 -10.06 58.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.686 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.405 ' HA3' HD13 ' A' ' 60' ' ' ILE . . . -90.74 145.29 17.82 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.085 -0.579 . . . . 0.0 111.769 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -106.51 123.16 47.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.466 HD12 ' HB1' ' A' ' 56' ' ' ALA . 37.4 mm -97.84 120.21 46.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -120.04 101.94 8.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.382 176.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 64.1 mt -113.63 120.54 63.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 10.1 tt0 -120.26 133.87 55.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.576 0.227 . . . . 0.0 110.678 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 59.89 14.23 4.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.271 171.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 57.01 18.5 4.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 122.894 0.478 . . . . 0.0 111.577 -174.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.6 p -126.46 -42.26 1.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.251 0.548 . . . . 0.0 110.667 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.461 ' HB2' ' HB3' ' A' ' 16' ' ' GLU . 51.1 m -85.61 103.9 14.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.386 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.819 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -101.18 115.55 30.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 177.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.7 132.0 36.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.8 mt -116.97 114.72 46.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m120 62.24 24.38 14.51 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.338 0.589 . . . . 0.0 110.694 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.76 -6.4 77.02 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.416 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -94.12 122.95 37.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -70.39 128.97 38.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.092 0.472 . . . . 0.0 111.086 -177.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.81 ' HB ' HD12 ' A' ' 21' ' ' LEU . 47.5 mm -107.84 98.66 7.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.044 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 m -82.99 108.83 16.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.728 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.819 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 84.0 m-85 . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.648 ' N ' ' HH ' ' A' ' 49' ' ' TYR . 3.9 p . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 41' ' ' SER . 87.8 mtt180 -165.04 -57.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.258 177.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.447 ' O ' ' HD3' ' A' ' 45' ' ' PRO . 13.2 m-85 -76.05 -27.17 57.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.911 -175.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -115.0 86.93 14.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.704 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 43' ' ' TYR . 2.8 Cg_exo -75.89 136.76 19.02 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.918 2.412 . . . . 0.0 112.59 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 62.9 66.57 0.74 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.579 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.17 154.27 51.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.891 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -96.17 98.37 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 111.053 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.648 ' HH ' ' N ' ' A' ' 41' ' ' SER . 0.1 OUTLIER -153.1 172.11 17.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.52 175.279 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -163.52 -35.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.805 0.336 . . . . 0.0 111.881 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 15.1 m -87.59 155.39 19.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.495 -174.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -64.96 -50.89 64.62 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.544 0.211 . . . . 0.0 111.363 -171.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.34 -38.44 84.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.335 0.588 . . . . 0.0 109.669 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.538 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 5.5 t70 -58.64 -41.48 86.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.76 175.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 51' ' ' SER . 63.6 mt -61.23 -52.67 63.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.253 177.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.466 ' HB1' HD12 ' A' ' 13' ' ' ILE . . . -62.68 -45.15 94.11 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.768 -175.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.62 -37.26 76.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.76 84.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.645 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 55' ' ' LEU . 88.7 mt -62.92 -49.78 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.027 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.418 HG21 ' O ' ' A' ' 8' ' ' PHE . 68.2 mt -66.04 -39.93 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.196 0.522 . . . . 0.0 110.586 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -58.88 -36.38 74.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.501 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.0 9.48 38.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 p -125.49 157.94 35.72 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.275 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.4 m -107.27 -17.58 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.455 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.59 -24.81 61.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.66 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -99.5 15.01 27.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.848 0.356 . . . . 0.0 111.133 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.57 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.449 -0.511 0 CA-C-O 121.0 0.428 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -86.92 132.31 33.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.818 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -107.17 120.6 42.54 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.825 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -94.89 139.42 31.35 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 171.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 1.023 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 14.9 tp10 -143.78 136.5 27.24 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.2 t -122.96 116.51 48.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.504 ' O ' HG21 ' A' ' 60' ' ' ILE . 38.5 t80 -127.46 113.96 16.86 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.973 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 59.0 24.07 12.26 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.512 0.508 . . . . 0.0 111.371 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.76 -3.48 60.86 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.915 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.23 137.0 13.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.271 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 m -93.46 121.23 34.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 1.023 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 80.6 mt -98.3 120.22 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.324 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.25 115.39 30.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.019 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.3 mt -110.11 120.53 61.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.811 0.338 . . . . 0.0 110.493 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 26.1 mt-10 -125.43 134.7 52.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.697 -177.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 4.3 t70 51.11 27.73 3.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.066 171.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.454 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 22.6 t70 74.12 -49.66 0.68 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.464 0.705 . . . . 0.0 112.454 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 m -89.62 -24.12 21.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -173.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.518 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 20.5 t -78.24 102.57 7.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.907 0.384 . . . . 0.0 110.372 -177.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.48 HD12 ' HB ' ' A' ' 28' ' ' ILE . 0.4 OUTLIER -98.8 118.07 34.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.261 178.837 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.4 140.86 45.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.868 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.5 mt -131.18 120.74 47.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 66.46 11.02 7.77 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.469 0.652 . . . . 0.0 110.409 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.8 -5.84 60.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.783 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -89.99 126.86 35.9 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -76.53 131.52 39.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.364 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.48 ' HB ' HD12 ' A' ' 21' ' ' LEU . 51.0 mm -108.75 102.8 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.924 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.5 m -89.07 116.59 27.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.338 173.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.451 0.643 . . . . 0.0 111.941 -179.599 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.446 -0.652 0 CA-C-O 120.671 0.272 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -64.55 -16.5 62.72 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -85.81 -4.36 59.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.992 0.425 . . . . 0.0 110.141 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.747 ' HG ' ' HB ' ' A' ' 47' ' ' THR . 15.7 tp -125.25 86.15 57.33 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.582 -175.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -65.55 101.37 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.505 2.803 . . . . 0.0 113.696 -171.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 71.09 -4.06 1.88 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.918 173.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.747 ' HB ' ' HG ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -69.63 164.22 23.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.145 0.498 . . . . 0.0 110.825 -178.386 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -128.35 151.32 49.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.304 -178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -143.92 165.66 27.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.821 0.343 . . . . 0.0 110.613 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -83.17 -53.86 5.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.824 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 p -156.09 -166.28 2.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.09 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.86 -46.51 89.12 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -171.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.09 -47.48 79.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.1 0.476 . . . . 0.0 110.047 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.57 -33.96 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.664 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.19 -51.72 68.21 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.943 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.61 93.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.04 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -66.93 -38.84 86.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.699 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.03 88.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.3 mt -62.91 -49.33 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.504 HG21 ' O ' ' A' ' 8' ' ' PHE . 71.2 mt -61.44 -39.72 83.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.812 0.339 . . . . 0.0 111.17 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.444 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 33.8 ttp180 -68.64 -43.53 76.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.778 0.323 . . . . 0.0 111.361 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -25.72 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.064 0.459 . . . . 0.0 111.423 -173.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.7 p -124.25 94.49 4.23 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.617 0.722 . . . . 0.0 109.754 173.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.2 m -73.84 -1.49 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.791 -170.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -74.41 1.33 11.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.203 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -94.96 -2.84 49.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.249 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.9 m . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.296 177.429 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.082 0.468 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 2.0 p80 -102.09 143.09 32.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.587 -178.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.583 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.9 t60 -110.74 116.56 31.51 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -102.87 135.64 44.17 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' CD ' HH21 ' A' ' 57' ' ' ARG . 33.1 tt0 -159.54 140.36 12.43 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.487 -174.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.3 t -117.0 114.75 46.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -110.55 107.67 17.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.037 -177.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 58.53 10.73 1.47 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.28 0.632 . . . . 0.0 112.524 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.28 -13.55 8.93 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.712 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.12 146.98 19.37 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.969 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -101.28 116.63 33.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.745 0.307 . . . . 0.0 110.77 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.5 mt -99.08 120.19 48.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -116.63 102.4 9.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.04 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.583 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 64.5 mt -113.18 123.22 68.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 121.182 -0.207 . . . . 0.0 110.607 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 20' ' ' SER . 2.3 tm-20 -118.41 131.07 56.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 36.0 t70 57.46 24.45 10.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.623 172.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.467 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 5.6 t70 74.64 -48.37 0.65 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.354 0.661 . . . . 0.0 112.46 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.4 m -94.98 -14.63 24.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -171.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 16' ' ' GLU . 36.8 m -92.3 97.86 11.14 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.8 tp -108.02 123.97 49.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.284 0.564 . . . . 0.0 112.05 -172.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.03 142.11 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.509 176.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.526 HD12 HG13 ' A' ' 28' ' ' ILE . 63.3 mt -125.2 117.28 49.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 m120 59.33 26.56 15.44 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.894 -177.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.49 -8.12 77.27 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.775 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -94.56 127.45 40.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.86 111.98 4.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.549 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.526 HG13 HD12 ' A' ' 23' ' ' ILE . 49.3 mm -100.68 99.53 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.227 0.537 . . . . 0.0 109.927 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -95.46 124.02 39.28 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.177 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--N 1.327 -0.411 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 172.715 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.2 p . . . . . 0 N--CA 1.443 -0.807 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -85.39 22.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.615 0.722 . . . . 0.0 110.306 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.08 -51.54 2.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 172.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 59' ' ' ILE . 8.1 mp -124.43 86.44 55.04 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.528 172.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.481 ' HB2' ' HD1' ' A' ' 46' ' ' TYR . 72.4 Cg_endo -89.06 133.29 2.4 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.785 2.323 . . . . 0.0 112.767 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.481 ' HD1' ' HB2' ' A' ' 45' ' ' PRO . 59.3 m-85 68.7 12.4 8.66 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.505 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -80.01 170.31 16.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.341 178.071 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.427 ' H ' HG22 ' A' ' 47' ' ' THR . 31.7 mm-40 -94.78 108.42 20.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.29 0.567 . . . . 0.0 111.438 -175.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.421 ' CD2' ' HG ' ' A' ' 55' ' ' LEU . 17.8 p90 -131.31 143.81 50.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.877 174.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -91.58 -36.48 13.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.128 0.49 . . . . 0.0 111.391 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.492 ' H ' ' HB3' ' A' ' 54' ' ' ASP . 24.0 t -137.77 167.0 22.61 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.288 -176.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.98 -42.17 99.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.807 0.337 . . . . 0.0 110.76 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.425 HD23 HD11 ' A' ' 15' ' ' ILE . 3.1 tm? -67.66 -35.22 78.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.225 0.536 . . . . 0.0 109.639 178.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.492 ' HB3' ' H ' ' A' ' 51' ' ' SER . 36.1 t70 -64.33 -36.08 82.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.101 177.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 49' ' ' TYR . 1.7 tt -63.9 -47.23 81.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.998 176.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.16 80.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.002 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.405 HH21 ' CD ' ' A' ' 6' ' ' GLU . 97.2 mtt180 -66.02 -39.55 90.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.561 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.85 -38.18 81.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.895 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.491 ' HA ' HD13 ' A' ' 44' ' ' LEU . 79.3 mt -62.61 -49.19 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.63 -39.81 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.203 0.525 . . . . 0.0 110.523 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -62.11 -32.31 72.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.517 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -95.15 -6.51 41.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.7 -173.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.4 p -116.32 175.87 5.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.114 0.483 . . . . 0.0 111.596 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.2 t -121.12 -32.72 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.222 176.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.22 -25.73 67.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.478 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -80.08 73.65 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.549 0.69 . . . . 0.0 110.036 175.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.791 -178.663 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.5 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 39.9 p . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 121.279 0.561 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -88.71 111.37 21.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.486 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.609 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 78.3 t60 -96.31 120.41 36.55 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -125.01 142.02 51.76 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.62 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.55 153.1 22.61 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.979 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.37 114.35 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.865 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.535 ' HB3' HD12 ' A' ' 60' ' ' ILE . 31.8 t80 -109.82 107.54 17.55 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 53.89 28.69 8.78 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.09 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.62 -1.2 61.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.659 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.78 141.88 15.84 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.637 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -90.31 119.77 30.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.788 0.328 . . . . 0.0 110.994 -177.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.428 HD12 ' HB1' ' A' ' 56' ' ' ALA . 41.7 mm -98.0 119.84 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.905 176.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.86 107.53 14.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.367 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.609 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 68.1 mt -116.31 119.95 63.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -110.77 144.2 40.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.404 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.5 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 25.3 t70 57.95 29.03 17.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.192 171.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 t70 70.65 -6.86 1.14 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.365 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -132.11 -42.08 0.99 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -170.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 50.9 m -67.01 122.72 18.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.859 0.362 . . . . 0.0 111.354 -176.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.48 HD22 HG12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -107.33 116.92 32.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.735 -175.097 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -135.6 138.52 43.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 175.64 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' A' ' 56' ' ' ALA . 61.5 mt -135.57 128.34 47.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 65.52 14.31 9.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.581 0.705 . . . . 0.0 110.972 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.04 5.09 68.28 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.924 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -110.4 134.76 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.521 ' HA ' HG22 ' A' ' 22' ' ' THR . 35.9 tt0 -74.91 142.28 44.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.015 0.436 . . . . 0.0 110.85 -177.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 42.4 mm -107.98 98.56 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.477 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.4 m -76.04 112.19 12.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.378 0.609 . . . . 0.0 111.94 -176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.976 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 1.4 m . . . . . 0 N--CA 1.443 -0.79 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 41' ' ' SER . 15.7 ttm180 173.48 -58.07 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.759 171.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -55.06 -42.6 72.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.896 -173.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.497 ' HB3' HG21 ' A' ' 47' ' ' THR . 8.6 mp -123.62 87.19 52.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.693 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.02 158.68 23.9 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.531 2.154 . . . . 0.0 112.047 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 58.04 38.41 26.67 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 111.457 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.497 HG21 ' HB3' ' A' ' 44' ' ' LEU . 7.2 p -113.65 170.75 8.02 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -125.94 110.45 13.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.131 0.491 . . . . 0.0 111.199 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -161.95 171.55 17.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.757 178.541 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -146.69 -1.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 111.246 177.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.2 t -114.75 146.51 40.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.622 0.249 . . . . 0.0 110.882 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.47 -37.74 77.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.424 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.43 -45.85 85.74 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.25 -47.25 86.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.186 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.53 HD23 ' CE2' ' A' ' 49' ' ' TYR . 2.6 tm? -61.89 -48.23 81.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.714 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.445 ' HA ' HD11 ' A' ' 23' ' ' ILE . . . -56.44 -46.25 80.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.194 0.521 . . . . 0.0 111.089 -178.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -72.0 -32.53 67.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.164 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.47 80.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.583 0.23 . . . . 0.0 111.165 178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 55' ' ' LEU . 56.9 mt -63.41 -50.22 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.558 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 8' ' ' PHE . 62.6 mt -64.56 -37.69 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.429 0.633 . . . . 0.0 109.89 178.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -58.66 -35.53 72.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.77 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -101.59 -26.33 13.57 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.8 p -126.28 121.16 31.84 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.17 0.509 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 m -82.13 -11.77 12.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.11 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -70.65 -2.1 13.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -98.11 3.3 49.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.139 0.495 . . . . 0.0 110.599 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 C--N 1.325 -0.482 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 172.894 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -110.11 134.24 52.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.922 0.392 . . . . 0.0 110.357 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.548 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.4 t60 -118.81 117.36 28.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -110.74 125.05 53.1 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.291 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -142.8 141.22 31.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.519 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.2 t -106.19 124.94 61.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.002 0.429 . . . . 0.0 110.723 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -121.47 108.38 13.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.782 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 58.34 23.71 10.81 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.143 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.9 -20.59 28.83 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.345 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.26 136.62 14.32 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.958 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.1 m -89.27 127.94 35.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.897 0.38 . . . . 0.0 110.993 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.491 HG22 HG13 ' A' ' 15' ' ' ILE . 67.0 mt -98.62 119.08 46.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.597 174.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.0 103.83 13.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.065 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.548 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 61.6 mt -114.03 120.78 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.842 0.353 . . . . 0.0 110.476 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.894 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 31.2 mt-10 -122.18 123.55 41.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.759 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 65.77 14.19 9.4 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.335 0.588 . . . . 0.0 111.464 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 66.31 6.36 4.22 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.383 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -118.69 -37.22 3.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 0.0 111.27 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.894 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 30.9 t -80.47 116.49 20.55 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.633 ' HG ' ' OH ' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -120.68 116.6 25.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.119 0.485 . . . . 0.0 110.007 -179.27 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.66 131.74 36.11 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.902 177.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.41 HG22 ' HB3' ' A' ' 66' ' ' PHE . 64.7 mt -116.41 121.24 67.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 71.9 -12.94 0.62 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.43 0.692 . . . . 0.0 110.789 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 23' ' ' ILE . . . 120.73 4.33 10.63 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -174.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -106.85 132.98 52.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.31 135.21 50.11 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.828 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.408 HG13 HG13 ' A' ' 23' ' ' ILE . 40.3 mm -111.16 114.05 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.652 -178.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 t -113.1 150.7 31.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.975 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.633 ' OH ' ' HG ' ' A' ' 21' ' ' LEU . 8.0 m-85 . . . . . 0 C--N 1.323 -0.559 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.546 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 5.9 p . . . . . 0 N--CA 1.45 -0.469 0 CA-C-O 121.001 0.429 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? 175.14 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.953 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -86.68 -27.62 23.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.394 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mp -128.14 76.65 77.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.148 174.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -95.41 78.06 0.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 123.032 2.488 . . . . 0.0 112.73 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -149.77 -63.01 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.665 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.1 p -92.69 143.58 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.777 -177.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -90.15 111.22 22.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.608 0.718 . . . . 0.0 110.151 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.509 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -112.24 147.58 35.93 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.189 -179.443 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -119.29 -31.51 4.64 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -174.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.584 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 22.4 m -76.73 129.85 36.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.04 -178.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.68 -41.47 97.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.865 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.641 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 4.3 mm? -69.24 -41.45 76.96 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.281 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.584 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 38.4 t70 -58.23 -43.92 88.01 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.495 0.664 . . . . 0.0 109.996 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.509 ' HG ' ' CD1' ' A' ' 49' ' ' TYR . 1.4 tt -64.14 -49.62 71.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.454 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -46.81 87.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.313 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 10.1 mtm180 -61.91 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.18 92.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -178.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.6 -48.27 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.988 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.86 -39.54 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 110.755 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -69.12 -31.79 70.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.099 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -86.23 -25.58 25.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.997 0.427 . . . . 0.0 112.11 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.2 p -109.44 170.58 7.97 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.364 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.87 -23.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.01 -50.32 72.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.41 ' HB3' HG22 ' A' ' 23' ' ' ILE . 97.8 m-85 -74.35 -17.89 60.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.367 -175.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.011 176.278 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.6 m . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.93 0.395 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.603 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 35.3 m80 -96.6 128.3 43.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.604 176.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.418 ' HB3' HD12 ' A' ' 15' ' ' ILE . 40.2 t60 -98.75 117.65 33.71 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 172.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.18 123.16 37.39 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.207 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.41 ' CD ' HH21 ' A' ' 57' ' ' ARG . 31.6 tt0 -160.16 142.04 12.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.49 -176.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.3 t -122.29 117.3 51.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 173.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.426 ' O ' HG21 ' A' ' 60' ' ' ILE . 41.1 t80 -110.84 107.71 17.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.529 -175.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 51.36 30.61 6.24 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 174.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 67' ' ' SER . . . 119.83 -33.53 4.56 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.875 178.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.66 139.48 14.76 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.812 -174.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -89.2 128.89 35.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.701 0.286 . . . . 0.0 110.75 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.8 mt -103.02 120.66 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.973 0.416 . . . . 0.0 110.376 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.29 123.57 49.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.391 176.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 62.3 mt -124.36 126.43 71.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.137 -175.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 1.126 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 20.3 mm-40 -108.95 105.55 15.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.53 173.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 11.2 t70 60.57 18.67 8.57 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.543 0.527 . . . . 0.0 111.335 171.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 17' ' ' ASP . 1.2 m-20 74.14 -42.07 0.5 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.888 0.875 . . . . 0.0 112.482 -177.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.29 -15.44 60.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -176.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 1.126 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 7.9 t -114.91 95.63 5.31 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.575 ' HB3' ' HE1' ' A' ' 30' ' ' TYR . 63.3 tp -98.96 122.05 41.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.007 0.432 . . . . 0.0 111.083 -177.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 p -129.31 121.93 28.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.755 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.1 mt -103.96 112.03 35.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.402 ' HA ' HD22 ' A' ' 24' ' ' ASN . 1.3 t-20 54.24 30.44 12.36 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.881 -176.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.99 -23.66 32.97 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.699 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -79.02 121.98 25.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.831 0.348 . . . . 0.0 110.513 -177.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.55 129.77 34.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.092 0.472 . . . . 0.0 110.042 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 mm -101.43 147.46 8.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.868 -172.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 41' ' ' SER . 24.3 t -94.48 158.62 15.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.575 ' HE1' ' HB3' ' A' ' 21' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.563 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 29' ' ' SER . 9.0 m . . . . . 0 N--CA 1.444 -0.757 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 70.88 -55.29 0.65 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.316 0.647 . . . . 0.0 111.613 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -84.7 -4.99 59.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.957 0.408 . . . . 0.0 111.014 -178.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.726 ' HB2' HG12 ' A' ' 59' ' ' ILE . 13.2 tp -137.8 143.98 42.4 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD2' ' HG ' ' A' ' 44' ' ' LEU . 37.7 Cg_exo -63.21 -169.57 0.09 OUTLIER 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 123.248 2.632 . . . . 0.0 113.767 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -81.87 18.61 1.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.651 -176.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 p -65.4 158.08 27.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 111.481 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -74.92 104.64 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.334 0.588 . . . . 0.0 112.455 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.46 ' CE2' HD23 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -122.97 170.49 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.534 167.308 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -127.56 -52.98 1.36 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.4 p -112.55 164.09 13.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.356 -171.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.53 -40.62 80.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.65 -46.45 85.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.14 0.495 . . . . 0.0 109.726 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.08 -45.95 92.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.561 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 59' ' ' ILE . 2.7 tm? -56.79 -48.36 78.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.889 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -57.2 -49.89 74.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.511 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.41 HH21 ' CD ' ' A' ' 6' ' ' GLU . 97.5 mtt180 -67.77 -37.91 82.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 -179.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.3 92.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.115 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.726 HG12 ' HB2' ' A' ' 44' ' ' LEU . 51.7 mt -63.03 -49.84 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.652 0.263 . . . . 0.0 110.631 178.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.426 HG21 ' O ' ' A' ' 8' ' ' PHE . 70.2 mt -64.81 -39.55 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.225 0.536 . . . . 0.0 110.779 -178.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -66.76 -30.1 70.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.731 -177.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -100.46 -21.06 15.49 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -171.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.7 p -103.04 156.52 17.63 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.946 0.403 . . . . 0.0 111.119 -177.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.5 m -90.66 -30.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.126 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.85 -35.16 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.648 -176.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.418 ' HB3' HG12 ' A' ' 60' ' ' ILE . 76.4 m-85 -86.34 -21.68 27.11 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.155 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.402 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 32.7 t . . . . . 0 C--N 1.329 -0.306 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 174.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.1 m . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 121.077 0.465 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -129.98 136.33 49.31 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.566 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 75.6 t60 -100.32 125.67 46.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -114.13 142.16 46.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.985 0.421 . . . . 0.0 110.299 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.654 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 7.6 tp10 -155.76 145.47 21.2 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.79 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.8 t -123.27 120.05 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.438 ' HE2' ' HB2' ' A' ' 61' ' ' ARG . 10.0 t80 -128.56 111.2 12.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.41 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 9.2 mm-40 57.0 30.74 18.68 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.823 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.32 -8.17 69.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.345 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.5 147.23 18.55 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' A' ' 24' ' ' ASN . 15.7 m -102.76 139.04 38.85 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.043 -176.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.654 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 58.4 mt -108.49 120.12 59.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 173.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -117.24 104.62 11.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.82 -176.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.566 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 65.2 mt -116.24 122.54 69.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 O-C-N 122.064 -0.398 . . . . 0.0 111.344 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.696 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 1.7 mp0 -102.11 125.46 48.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 t70 62.5 14.31 6.89 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.339 0.59 . . . . 0.0 111.317 173.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 66.92 9.63 6.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.165 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -119.89 -47.41 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.688 -174.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.696 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 22.3 t -78.75 124.96 28.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.807 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -108.52 116.83 32.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.152 0.501 . . . . 0.0 110.81 -175.84 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 137.55 42.63 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.728 172.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.6 mt -116.81 108.42 24.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.434 ' HA ' ' HB ' ' A' ' 12' ' ' THR . 61.6 t30 62.34 28.04 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.35 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.77 2.14 69.93 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.517 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -103.07 123.14 46.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.81 128.69 37.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.599 ' HB ' HD12 ' A' ' 21' ' ' LEU . 44.8 mm -108.59 132.85 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 -176.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 m -95.54 115.49 27.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.19 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.807 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 56.5 m-85 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.967 173.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 44' ' ' LEU . 4.0 m . . . . . 0 N--CA 1.444 -0.774 0 CA-C-O 120.466 0.174 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.501 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -68.55 -47.93 65.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.093 0.473 . . . . 0.0 110.915 -176.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -86.66 17.45 3.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.121 -176.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 41' ' ' SER . 16.5 tp -140.66 143.97 34.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.498 ' HD2' HD12 ' A' ' 44' ' ' LEU . 38.6 Cg_endo -68.58 -179.15 2.22 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.499 2.133 . . . . 0.0 112.613 177.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -84.5 43.8 0.99 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.159 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -76.93 171.07 15.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.314 179.637 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.411 ' H ' HG22 ' A' ' 47' ' ' THR . 7.4 pt20 -101.97 113.44 26.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.31 0.576 . . . . 0.0 109.907 178.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -120.68 -173.23 2.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.002 -175.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -115.45 -67.46 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -173.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.469 ' H ' ' HB3' ' A' ' 54' ' ' ASP . 2.6 p -134.09 -176.55 4.23 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -169.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.96 -43.45 62.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -174.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -64.87 -37.86 89.05 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 177.583 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.469 ' HB3' ' H ' ' A' ' 51' ' ' SER . 19.2 t70 -62.08 -44.62 96.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.422 174.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.8 mt -57.83 -51.28 70.24 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.525 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 60' ' ' ILE . . . -57.1 -47.03 82.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.17 -177.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -66.93 -32.6 73.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.185 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.16 -36.77 72.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.187 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.6 mt -68.72 -44.87 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.683 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 56' ' ' ALA . 70.4 mt -68.44 -43.42 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -175.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.438 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 5.0 ttp180 -71.96 -43.26 65.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -169.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.65 14.92 13.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -171.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.8 p -126.18 170.73 11.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.12 -6.14 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.609 0.718 . . . . 0.0 109.754 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -87.84 0.78 55.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.246 -173.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -126.52 16.4 7.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.3 t . . . . . 0 C--N 1.324 -0.524 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.109 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -89.03 106.47 18.46 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.712 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -98.67 126.18 44.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.219 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.518 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 2.5 m -129.63 141.37 50.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.773 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -159.22 161.64 36.11 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.174 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.1 t -112.71 127.23 70.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.796 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.402 ' HE2' ' HB2' ' A' ' 61' ' ' ARG . 39.4 t80 -118.12 107.41 13.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 55.04 20.56 3.29 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.095 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.32 -29.46 6.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.377 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.96 135.04 13.98 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.895 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 m -96.42 124.85 40.55 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.992 0.425 . . . . 0.0 111.44 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 5' ' ' THR . 71.2 mt -98.77 120.26 47.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.545 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -112.4 124.36 52.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.737 176.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.8 mt -110.32 120.0 60.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.216 0.532 . . . . 0.0 110.604 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.888 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 34.3 mm-40 -111.98 124.87 53.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.137 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.468 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 34.1 t70 57.34 23.92 9.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.568 173.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.468 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 13.9 t70 73.48 -24.7 0.2 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.104 177.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 p -103.64 -37.93 7.32 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.888 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 7.7 t -78.51 114.99 17.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.115 0.483 . . . . 0.0 110.349 -177.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -103.52 118.22 36.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.411 179.336 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 1.2 p -126.59 120.27 29.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.016 0.436 . . . . 0.0 111.066 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.4 HD11 ' HB1' ' A' ' 56' ' ' ALA . 83.1 mt -112.54 116.41 52.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 56.31 23.01 6.77 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.971 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.48 -0.74 58.36 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.123 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 22' ' ' THR . 14.1 mptt -95.43 138.87 32.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.006 0.403 . . . . 0.0 110.647 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -87.99 115.07 25.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.476 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.425 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 47.0 mm -102.96 135.88 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.336 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -136.65 158.65 43.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.19 -175.577 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p . . . . . 0 N--CA 1.437 -1.091 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -71.86 5.08 2.79 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.307 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.52 ' HB2' HD22 ' A' ' 44' ' ' LEU . 62.0 m-85 -97.42 -28.25 14.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.266 -178.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.52 HD22 ' HB2' ' A' ' 43' ' ' TYR . 2.8 mm? -115.94 88.05 20.39 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.077 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.12 139.69 61.99 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.619 2.212 . . . . 0.0 112.374 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 69.05 7.79 6.45 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.652 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.4 p 54.93 133.96 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.843 1.257 . . . . 0.0 113.531 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.449 ' HG2' ' HB3' ' A' ' 44' ' ' LEU . 18.5 pt20 -152.35 31.68 0.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.055 -176.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -134.53 156.41 48.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.065 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -84.74 -57.39 3.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.678 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.404 ' H ' ' HB2' ' A' ' 54' ' ' ASP . 8.4 t -142.47 -164.61 1.86 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.47 -51.01 70.46 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -173.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.98 -40.71 94.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.202 0.525 . . . . 0.0 110.181 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.404 ' HB2' ' H ' ' A' ' 51' ' ' SER . 18.5 m-20 -68.64 -32.25 71.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.575 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 59' ' ' ILE . 8.3 tt -56.84 -45.89 82.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.988 177.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.4 ' HB1' HD11 ' A' ' 23' ' ' ILE . . . -62.4 -43.17 99.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.935 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.81 -34.92 76.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.127 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.23 -38.06 87.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 55' ' ' LEU . 66.2 mt -62.77 -50.28 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.352 178.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.4 mt -59.92 -40.01 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.431 -176.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.402 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 27.7 ttt180 -79.36 -36.63 39.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -85.09 -25.9 27.26 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.468 -0.493 . . . . 0.0 112.123 -171.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.9 p -112.97 122.19 46.91 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.343 0.592 . . . . 0.0 110.369 178.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.73 -28.36 41.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.879 -173.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.91 -28.49 68.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.282 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -82.82 -4.22 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.872 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 C--N 1.326 -0.431 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 172.858 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m 67.32 12.66 9.04 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.815 -0.629 . . . . 0.0 112.077 172.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -130.92 142.94 50.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.876 0.37 . . . . 0.0 110.489 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.405 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 60.1 t60 -112.94 118.77 35.79 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.366 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -101.16 141.5 33.96 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 174.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -155.97 139.4 15.81 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.4 t -113.49 113.31 43.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.089 0.471 . . . . 0.0 110.264 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -110.33 105.2 14.13 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 51.06 27.57 3.4 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.601 0.761 . . . . 0.0 112.992 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.84 -13.77 22.18 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.88 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.03 130.99 10.41 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.766 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.1 m -90.49 128.99 36.7 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.976 0.417 . . . . 0.0 110.927 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.2 mt -97.78 120.47 47.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.686 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -107.39 110.85 22.93 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.943 -177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.405 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 71.5 mt -114.58 119.26 61.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 172.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -119.63 140.35 50.75 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-O 120.755 0.312 . . . . 0.0 111.037 -173.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.4 t0 60.31 30.25 19.68 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.501 0.667 . . . . 0.0 110.32 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.12 19.62 10.16 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.981 -177.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.4 -163.73 1.81 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 178.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.6 t 65.25 103.8 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.023 0.44 . . . . 0.0 111.91 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.579 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -90.67 115.64 27.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.35 140.23 44.9 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.083 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.7 mt -128.18 117.52 45.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 176.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 67.12 15.48 10.08 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.941 0.877 . . . . 0.0 109.819 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.41 -10.82 65.21 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.31 -176.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -84.66 129.23 34.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.311 . . . . 0.0 110.755 -178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -66.32 124.83 23.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.296 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.5 ' HB ' HD12 ' A' ' 21' ' ' LEU . 49.7 mm -103.81 101.71 12.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.156 0.503 . . . . 0.0 110.021 177.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.2 m -83.49 108.56 16.71 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.663 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -77.05 149.56 35.8 Favored 'General case' 0 CA--C 1.512 -0.481 0 CA-C-O 121.164 0.507 . . . . 0.0 110.497 176.473 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.589 HG11 ' HB3' ' A' ' 39' ' ' TRP . 39.9 t -129.04 115.47 36.5 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 171.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -85.13 159.76 20.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.933 -171.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -93.82 16.11 14.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.621 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.21 -173.55 1.35 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.333 -170.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.4 t -71.37 -32.57 47.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.992 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -62.58 -39.43 93.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.205 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -151.41 132.23 14.12 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.683 -173.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -109.28 87.56 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.009 0.433 . . . . 0.0 109.9 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.589 ' HB3' HG11 ' A' ' 31' ' ' VAL . 58.0 t-105 -162.7 165.43 25.65 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -178.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.44 ' C ' ' HB ' ' A' ' 31' ' ' VAL . 6.3 m -101.86 164.72 11.58 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.0 m -56.79 138.94 52.46 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.782 0.325 . . . . 0.0 110.453 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -62.48 -28.17 69.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.95 -172.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -86.2 -22.66 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.529 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.493 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 56.8 mt -130.79 84.7 57.77 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.089 0.471 . . . . 0.0 110.145 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -81.86 128.7 5.98 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 123.203 2.602 . . . . 0.0 113.128 -174.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 67.4 12.88 9.14 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.498 -0.773 . . . . 0.0 112.238 173.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.493 ' OG1' ' HB3' ' A' ' 44' ' ' LEU . 20.5 p -98.87 144.22 28.31 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -102.66 123.87 47.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.118 0.485 . . . . 0.0 111.342 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.84 168.29 12.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.733 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -94.69 -60.2 1.76 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.005 0.431 . . . . 0.0 111.788 -173.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -130.56 179.4 5.96 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.338 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 52' ' ' LEU . 1.2 tm? -72.89 -46.46 52.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.084 -175.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.89 -41.82 97.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -58.28 -43.76 88.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.764 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.554 ' O ' HG13 ' A' ' 59' ' ' ILE . 46.4 tp -56.57 -51.25 69.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.609 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.49 -46.0 80.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.3 -177.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -71.53 -34.37 69.98 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.19 81.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.753 178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 55' ' ' LEU . 71.9 mt -63.05 -50.53 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.69 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.23 -39.33 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.364 0.602 . . . . 0.0 110.664 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -67.54 -34.07 76.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.808 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -92.87 -25.25 18.17 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -171.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.468 ' HB ' ' OE1' ' A' ' 65' ' ' GLU . 46.6 p -118.47 122.64 43.23 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.062 0.458 . . . . 0.0 111.27 -178.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -75.4 -9.47 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.042 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.468 ' OE1' ' HB ' ' A' ' 63' ' ' THR . 22.7 mp0 -57.57 -37.47 73.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.038 177.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -92.55 -4.12 54.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.132 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -76.19 -40.2 52.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 110.132 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.53 -104.01 1.02 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.926 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.4 t -75.65 88.54 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 120.901 0.381 . . . . 0.0 111.973 -174.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -176.72 106.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.459 170.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -98.15 -19.74 17.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.341 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 174.58 -151.75 13.09 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.494 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.253 1.245 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.649 177.07 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 p -66.48 105.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.25 0.548 . . . . 0.0 111.455 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 53.6 p-80 -130.25 114.16 15.31 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.872 177.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.498 ' HB3' HD12 ' A' ' 15' ' ' ILE . 61.3 t60 -104.36 118.21 36.07 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.238 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 0.3 OUTLIER -130.61 124.1 30.97 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.54 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -156.25 171.3 20.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.51 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.8 t -121.67 121.01 63.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.522 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -111.48 105.75 14.44 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 50.54 33.05 7.36 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 111.783 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.485 ' HA3' ' HB ' ' A' ' 69' ' ' VAL . . . 105.72 -28.29 14.67 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.36 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.83 119.38 5.99 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.442 -0.885 . . . . 0.0 111.602 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -91.91 125.6 36.67 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 120.683 0.278 . . . . 0.0 110.267 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 5' ' ' THR . 63.8 mt -98.09 119.96 46.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -113.14 102.54 10.48 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.719 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.498 HD12 ' HB3' ' A' ' 4' ' ' HIS . 62.5 mt -112.62 120.12 62.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.914 0.388 . . . . 0.0 110.688 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.763 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 31.0 mt-10 -109.06 128.33 54.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.007 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.1 t70 60.52 20.19 9.97 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.907 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.6 t70 61.07 17.67 8.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.934 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 p -131.96 -39.83 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.603 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.763 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 3.0 t -76.77 106.3 8.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 51.6 tp -104.61 116.35 31.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.207 0.527 . . . . 0.0 111.363 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.461 HG22 ' HA ' ' A' ' 27' ' ' GLU . 0.1 OUTLIER -135.16 141.62 45.96 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.066 176.189 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.5 113.3 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.558 0.218 . . . . 0.0 110.47 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 61.94 29.94 17.93 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.528 0.68 . . . . 0.0 110.786 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.93 -11.1 69.96 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.626 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.62 128.48 41.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.949 0.374 . . . . 0.0 110.065 -179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.461 ' HA ' HG22 ' A' ' 22' ' ' THR . 27.6 tt0 -78.95 125.24 29.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.146 0.498 . . . . 0.0 110.355 -178.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.4 mm -88.27 104.46 14.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.487 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.602 ' H ' ' HE2' ' A' ' 43' ' ' TYR . 33.5 m -60.53 100.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.521 175.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.454 ' HD1' ' HB3' ' A' ' 41' ' ' SER . 24.4 t80 -131.75 -176.7 4.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG21 ' HA ' ' A' ' 38' ' ' LYS . 23.3 t -78.0 87.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 108.779 -0.822 . . . . 0.0 108.779 173.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' HD2' ' HB3' ' A' ' 30' ' ' TYR . 18.8 m170 -90.66 12.7 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.142 0.496 . . . . 0.0 110.492 -177.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -173.19 149.51 1.81 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.065 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 57.12 91.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.255 0.972 . . . . 0.0 111.472 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.2 t -62.19 -24.08 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.604 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.45 -21.27 66.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.121 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -95.34 52.06 1.37 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.772 0.32 . . . . 0.0 110.535 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.562 ' HA ' HG21 ' A' ' 31' ' ' VAL . 1.9 tmtp? -74.9 93.77 2.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.96 0.41 . . . . 0.0 111.0 -177.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -109.58 2.08 20.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.883 174.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.7 m 64.91 -166.72 0.22 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.66 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.454 ' HB3' ' HD1' ' A' ' 30' ' ' TYR . 10.0 p -83.28 123.11 29.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.656 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -87.35 61.11 6.46 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.384 0.612 . . . . 0.0 110.729 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.602 ' HE2' ' H ' ' A' ' 29' ' ' SER . 67.7 m-85 -139.51 -62.0 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.514 -0.767 . . . . 0.0 109.129 175.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.483 ' HG ' ' HD2' ' A' ' 45' ' ' PRO . 13.0 tp -74.74 144.68 80.56 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.242 -0.89 . . . . 0.0 108.935 178.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.483 ' HD2' ' HG ' ' A' ' 44' ' ' LEU . 36.3 Cg_endo -65.62 -169.39 0.14 Allowed 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.411 2.074 . . . . 0.0 112.564 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -79.96 48.59 0.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.058 0.456 . . . . 0.0 111.56 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.02 171.01 10.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.466 174.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -82.95 95.49 8.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.339 0.59 . . . . 0.0 111.385 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.478 ' CE2' HD23 ' A' ' 44' ' ' LEU . 47.4 p90 -154.4 161.15 41.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.65 174.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -158.21 -25.96 0.08 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.342 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.4 m -83.86 145.82 28.43 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 122.327 -0.233 . . . . 0.0 110.942 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.78 -50.43 66.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 53' ' ' LEU . 4.1 mm? -69.14 -31.01 69.38 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.95 0.405 . . . . 0.0 110.654 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -66.39 -48.71 69.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.463 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.46 -46.55 83.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.658 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 -46.43 81.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.353 -178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -71.41 -39.13 71.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.309 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.72 94.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.215 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 28.0 mt -64.16 -48.75 84.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.888 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.95 -39.54 82.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.876 0.369 . . . . 0.0 110.928 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -75.57 -28.1 58.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.849 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -94.47 -25.26 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.87 -0.519 . . . . 0.0 111.96 -175.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.9 p -127.59 122.39 33.05 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.099 0.476 . . . . 0.0 111.183 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 m -75.32 -4.5 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.384 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.79 -20.08 63.21 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.207 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -114.54 6.31 15.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -173.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.9 p -96.39 96.96 9.08 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.488 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.66 68.02 0.49 Allowed Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.485 ' HB ' ' HA3' ' A' ' 10' ' ' GLY . 12.3 p -82.68 -20.9 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.988 0.423 . . . . 0.0 110.88 -176.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.2 tttt 65.31 -78.24 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.085 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 65.31 -67.48 0.13 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.711 0.804 . . . . 0.0 111.35 -175.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -174.89 -67.87 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.979 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 119.197 -0.43 . . . . 0.0 109.909 178.571 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.595 ' HB3' ' HB2' ' A' ' 17' ' ' ASP . 69.9 mtm . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 4.1 m -69.17 118.01 11.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.898 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.466 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 49.7 t-80 -105.27 126.4 52.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.126 0.489 . . . . 0.0 110.962 -178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.524 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 45.2 t60 -111.94 133.72 53.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.59 175.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.07 134.95 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 123.108 0.255 . . . . 0.0 110.861 178.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -159.31 156.79 29.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.714 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.1 t -107.52 128.21 62.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.001 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -119.1 106.9 12.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.31 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 48.58 36.38 7.48 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.206 0.603 . . . . 0.0 112.22 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.96 -12.98 41.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.289 -0.958 . . . . 0.0 113.19 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.26 159.69 19.31 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.71 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.6 m -116.8 128.04 54.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 117.203 0.502 . . . . 0.0 110.523 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.423 HG22 HG13 ' A' ' 15' ' ' ILE . 68.7 mt -106.16 120.04 56.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.07 -178.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -112.07 113.96 26.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.007 173.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.524 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 49.9 mt -118.38 124.39 73.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.314 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.862 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 29.3 mt-10 -123.36 116.9 24.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.184 0.516 . . . . 0.0 111.064 172.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.595 ' HB2' ' HB3' ' A' ' 1' ' ' MET . 25.6 t70 46.95 49.98 14.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.271 174.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 11.6 t70 75.32 -52.62 0.66 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 172.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -89.19 -34.15 16.77 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -168.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.862 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 8.3 t -76.52 108.22 9.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD2' HG12 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -127.51 122.62 33.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -176.146 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.21 120.94 19.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.928 0.394 . . . . 0.0 110.916 175.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.8 mt -106.07 108.95 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.094 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 63.65 19.63 11.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.1 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.49 -9.11 55.61 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.613 -179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -84.99 124.45 31.7 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.574 -0.368 . . . . 0.0 110.163 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -68.57 112.11 5.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.488 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.44 ' HB ' HD12 ' A' ' 21' ' ' LEU . 45.1 mm -100.91 93.55 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.24 0.543 . . . . 0.0 109.823 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -88.33 121.79 31.12 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.958 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.512 ' HE1' HD22 ' A' ' 55' ' ' LEU . 73.9 m-85 -91.38 161.55 14.96 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 174.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 p -108.15 102.69 14.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-O 121.637 0.732 . . . . 0.0 109.499 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -87.91 36.14 0.76 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.167 -178.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -127.09 147.22 50.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.324 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.55 29.36 0.85 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.238 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.6 t -72.01 -55.72 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 -177.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -88.05 -67.55 0.82 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.355 0.597 . . . . 0.0 110.064 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -132.81 150.65 52.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.376 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' ' 38' ' ' LYS . 35.2 ttpt -116.6 97.18 5.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.022 0.439 . . . . 0.0 110.345 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.405 ' HD1' ' O ' ' A' ' 40' ' ' SER . 47.6 p90 -102.63 178.67 4.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.733 176.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.405 ' O ' ' HD1' ' A' ' 39' ' ' TRP . 12.0 m -99.52 -172.83 2.33 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.737 -0.211 . . . . 0.0 110.467 -179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.93 138.22 43.83 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -55.57 -30.75 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -176.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -88.29 -0.7 57.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.454 HD23 ' HG ' ' A' ' 55' ' ' LEU . 20.9 tp -156.08 86.92 3.05 Favored Pre-proline 0 N--CA 1.465 0.284 0 CA-C-O 120.716 0.293 . . . . 0.0 110.852 -177.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.47 101.52 1.47 Allowed 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.322 2.014 . . . . 0.0 113.88 -176.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 31.4 p90 42.29 59.28 2.72 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.75 1.22 . . . . 0.0 114.077 172.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.553 HG22 ' H ' ' A' ' 48' ' ' GLN . 2.7 m -88.86 177.23 6.75 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 171.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.553 ' H ' HG22 ' A' ' 47' ' ' THR . 62.1 tt0 -76.08 93.21 3.28 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.211 0.529 . . . . 0.0 110.571 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -129.13 152.84 48.29 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.534 174.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -79.59 -43.01 23.76 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.4 -177.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.463 ' H ' ' HB3' ' A' ' 54' ' ' ASP . 5.2 p -170.73 -166.21 0.48 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.471 -174.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.4 mp -62.02 -48.66 79.3 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -175.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.82 -41.32 95.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.251 0.548 . . . . 0.0 110.119 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.545 ' HA ' HH11 ' A' ' 57' ' ' ARG . 24.1 t70 -71.03 -35.9 72.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.497 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.512 HD22 ' HE1' ' A' ' 30' ' ' TYR . 9.2 tt -62.24 -46.62 88.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.978 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.7 -40.65 76.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.463 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.545 HH11 ' HA ' ' A' ' 54' ' ' ASP . 18.8 mtp-105 -67.27 -40.17 86.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.034 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.66 -38.3 87.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.166 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.0 -40.9 88.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.785 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.5 mt -69.68 -46.56 74.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -174.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -81.9 -36.53 28.02 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 119.773 -0.771 . . . . 0.0 112.573 -171.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.91 6.25 22.39 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.533 -0.467 . . . . 0.0 112.124 -176.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.9 p -114.43 176.63 4.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.4 p -113.49 -30.73 2.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.901 0.381 . . . . 0.0 111.163 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -85.73 -22.18 27.91 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 -173.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -79.25 -9.95 59.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 111.328 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.5 t -101.18 119.1 38.24 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.76 -56.51 1.51 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.441 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.6 p -115.48 105.98 19.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.514 0.673 . . . . 0.0 111.366 -177.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -96.59 -174.3 2.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.619 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 74.51 -54.47 0.67 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.753 0.821 . . . . 0.0 110.981 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -83.67 -1.67 90.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.058 -0.591 . . . . 0.0 112.214 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 C--O 1.243 0.754 0 CA-C-O 118.645 -0.693 . . . . 0.0 109.559 177.755 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 ttt . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 53.0 p -61.62 -39.53 91.61 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.715 0.293 . . . . 0.0 111.511 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -111.9 140.05 46.88 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 175.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.574 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 74.6 t60 -135.53 123.5 22.73 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.522 -177.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 2.6 m -126.78 140.96 51.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.332 177.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -159.98 161.88 34.21 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.2 126.14 75.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.92 0.39 . . . . 0.0 110.582 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.486 ' O ' HG21 ' A' ' 60' ' ' ILE . 37.4 t80 -120.96 110.95 16.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.002 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 54.13 30.63 12.42 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.85 0.29 56.34 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.183 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.38 135.92 13.19 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.749 -0.738 . . . . 0.0 111.929 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 23' ' ' ILE . 31.6 m -98.93 128.45 45.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.787 0.294 . . . . 0.0 110.953 -178.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 5' ' ' THR . 72.7 mt -98.52 120.27 47.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.244 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -109.13 108.32 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.929 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 53.8 mt -113.29 122.14 66.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 176.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -124.96 123.6 40.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.36 . . . . 0.0 111.178 178.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 t70 56.74 35.72 26.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.67 171.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 74.66 -32.44 0.23 Allowed 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 173.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -95.85 -43.03 8.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 t -71.12 116.7 11.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -176.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.629 ' HG ' ' CE1' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -122.54 116.28 23.63 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 177.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.28 141.32 45.68 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.414 178.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 12' ' ' THR . 77.7 mt -125.32 113.13 33.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 174.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 62.75 22.42 13.36 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.967 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.57 5.53 71.75 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.574 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -101.27 127.24 47.96 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.76 122.99 18.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.973 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.604 ' HB ' HD12 ' A' ' 21' ' ' LEU . 48.5 mm -97.7 107.64 20.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.057 177.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -73.93 100.93 3.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.365 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.629 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 5.8 m-85 -84.21 172.13 12.15 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.206 0.527 . . . . 0.0 109.958 174.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.596 ' HB ' ' HA ' ' A' ' 40' ' ' SER . 2.7 p -84.41 85.89 2.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-O 121.816 0.817 . . . . 0.0 109.648 175.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -82.43 87.46 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.747 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.0 t70 60.42 13.13 3.87 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.726 176.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 64.2 18.42 11.26 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.316 0.646 . . . . 0.0 111.174 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 66.0 t -96.07 -42.87 12.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.325 0.583 . . . . 0.0 110.235 177.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -102.04 10.75 39.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.118 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -163.27 178.57 8.07 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.419 ' HB3' ' CE3' ' A' ' 39' ' ' TRP . 13.0 mptt -92.54 -161.58 0.85 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.851 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.419 ' CE3' ' HB3' ' A' ' 38' ' ' LYS . 49.5 p90 -44.74 -38.58 4.54 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -174.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.596 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 28.6 p -157.06 -178.74 7.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.938 0.399 . . . . 0.0 110.754 174.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 m -61.97 123.13 17.22 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.629 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -78.31 45.06 0.53 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 112.183 -172.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -123.88 -16.11 6.72 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.0 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -112.51 152.11 44.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.685 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.472 ' O ' ' HB2' ' A' ' 46' ' ' TYR . 12.8 Cg_exo -70.0 64.93 1.94 Allowed 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.172 2.582 . . . . 0.0 111.683 174.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.472 ' HB2' ' O ' ' A' ' 45' ' ' PRO . 20.5 m-85 73.74 -53.86 0.69 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.927 0.891 . . . . 0.0 110.598 -176.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.8 p -142.61 146.25 34.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.682 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -170.13 23.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -169.66 165.26 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.136 -170.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -115.91 -48.6 2.74 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 172.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.0 m -96.9 160.79 14.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.998 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -73.18 -29.93 63.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.304 -176.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -68.01 -42.04 81.27 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.018 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.91 -31.18 72.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.824 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.532 ' O ' HG13 ' A' ' 59' ' ' ILE . 6.9 tt -53.67 -48.96 68.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.998 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.51 95.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.377 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -70.95 -36.83 72.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -177.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.26 85.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.789 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 55' ' ' LEU . 77.0 mt -62.2 -50.95 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.296 178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.486 HG21 ' O ' ' A' ' 8' ' ' PHE . 64.7 mt -60.75 -39.53 82.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.209 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -69.98 -43.61 71.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.652 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.46 -25.67 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -172.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.1 p -107.74 94.02 4.85 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.715 0.769 . . . . 0.0 109.392 174.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.443 HG12 ' HE2' ' A' ' 70' ' ' LYS . 5.5 t -69.42 -6.02 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.099 -172.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -72.68 -13.49 61.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.27 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -96.98 7.97 45.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.864 177.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 t -95.79 108.59 20.94 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.3 -28.39 64.05 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.651 -177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.1 p -135.46 119.07 24.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.387 0.613 . . . . 0.0 110.178 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.443 ' HE2' HG12 ' A' ' 64' ' ' VAL . 97.1 mttt -94.28 83.66 4.26 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.328 0.585 . . . . 0.0 110.553 -177.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -146.29 90.78 1.98 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.858 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.77 -76.42 1.12 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 171.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 C--O 1.248 1.018 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 173.375 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 mmt . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 120.516 0.198 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.6 p -71.03 -40.97 71.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.713 0.768 . . . . 0.0 109.273 173.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.43 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . 8.5 p-80 -112.83 130.33 56.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.367 171.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.459 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.5 t60 -98.45 117.82 33.73 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.886 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.67 137.07 35.25 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 174.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.73 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 6.3 tp10 -147.32 153.81 40.16 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 11' ' ' GLY . 95.9 t -122.53 113.36 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.88 0.371 . . . . 0.0 110.277 175.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.453 ' HB3' HD12 ' A' ' 60' ' ' ILE . 82.8 t80 -110.99 107.35 16.74 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.12 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 56.65 23.98 8.37 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.561 0.538 . . . . 0.0 111.729 175.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.84 -18.0 24.68 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.628 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 7' ' ' VAL . . . -86.76 149.15 22.19 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.171 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.8 m -100.77 116.44 32.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.09 0.471 . . . . 0.0 111.051 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.73 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 69.6 mt -98.83 121.4 49.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.509 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -116.02 103.46 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 178.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.513 HG13 HG22 ' A' ' 13' ' ' ILE . 63.9 mt -109.81 119.71 59.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.779 0.323 . . . . 0.0 110.799 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.633 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 43.7 mt-10 -111.52 123.4 50.14 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.842 179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t70 58.08 22.93 9.5 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 123.524 0.515 . . . . 0.0 110.649 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 p30 45.04 29.34 0.47 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.349 1.06 . . . . 0.0 112.506 -174.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 p -137.45 -52.86 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.815 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.633 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 37.3 m -67.49 115.66 7.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.749 172.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.823 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . 0.1 OUTLIER -120.11 126.64 51.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.277 0.56 . . . . 0.0 111.823 -173.744 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.11 141.67 44.19 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.032 174.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.53 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 55.9 mt -127.64 118.57 49.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.4 m120 57.07 21.06 6.0 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 112.17 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.8 -5.75 43.47 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.716 175.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 23' ' ' ILE . 15.6 ptpt -108.64 147.83 31.29 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.761 0.78 . . . . 0.0 110.865 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -73.51 133.95 43.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.169 -171.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.823 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 50.8 mm -105.93 142.12 19.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.105 177.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.2 m -128.47 120.36 26.69 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.847 0.356 . . . . 0.0 110.615 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 55' ' ' LEU . 21.0 m-85 -101.58 169.71 8.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.41 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.737 ' HB ' ' HA ' ' A' ' 40' ' ' SER . 3.7 p -76.57 109.27 10.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 168.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -128.42 127.48 42.63 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 120.487 -0.485 . . . . 0.0 111.438 -171.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.52 ' OD1' ' HD2' ' A' ' 36' ' ' LYS . 6.7 m-20 61.65 -160.85 0.3 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.496 -0.774 . . . . 0.0 110.499 177.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -131.28 19.21 4.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.456 0.646 . . . . 0.0 109.465 173.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.2 t -129.95 -61.68 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.166 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HD2' ' OD1' ' A' ' 33' ' ' ASP . 88.8 mttt -54.83 -50.76 67.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.746 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 31' ' ' VAL . 7.8 t-20 -135.52 140.96 45.16 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.618 -177.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 39' ' ' TRP . 87.8 mttt -126.94 160.51 30.81 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 173.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.4 ' HB3' ' O ' ' A' ' 38' ' ' LYS . 65.3 t-105 75.21 133.99 0.05 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.276 0.985 . . . . 0.0 109.788 -172.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.737 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 16.9 m -63.72 168.86 4.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 112.027 -174.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -51.06 106.3 0.13 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.637 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -63.47 -24.34 67.78 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.159 -172.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -67.91 -22.25 65.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.115 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.412 HD21 HG12 ' A' ' 59' ' ' ILE . 3.0 mm? -118.66 156.94 51.04 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.232 -178.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.464 ' HG2' ' OG1' ' A' ' 47' ' ' THR . 60.4 Cg_endo -75.67 -178.03 4.01 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.175 1.917 . . . . 0.0 111.625 172.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -82.54 52.46 2.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.394 0.616 . . . . 0.0 111.627 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.464 ' OG1' ' HG2' ' A' ' 45' ' ' PRO . 0.2 OUTLIER -83.48 169.16 15.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.695 174.805 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -86.18 91.77 8.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.33 0.586 . . . . 0.0 111.765 -177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.502 ' CD1' HD21 ' A' ' 55' ' ' LEU . 9.8 p90 -123.65 167.8 13.49 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.052 171.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -156.88 -35.75 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.678 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 18.8 m -88.4 139.77 30.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.805 0.336 . . . . 0.0 111.435 -174.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.58 -37.11 84.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.667 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 tm? -63.78 -39.57 94.58 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 177.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.572 ' HA ' ' HE ' ' A' ' 57' ' ' ARG . 31.4 t70 -64.53 -42.81 95.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.768 178.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 1.7 mm? -55.11 -47.34 75.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.281 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.45 -39.03 75.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.143 0.497 . . . . 0.0 111.185 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HE ' ' HA ' ' A' ' 54' ' ' ASP . 47.7 mtm180 -71.54 -43.87 65.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.091 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.5 -37.76 79.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.018 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 55' ' ' LEU . 75.5 mt -62.85 -50.18 80.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.996 178.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 8' ' ' PHE . 64.7 mt -68.44 -38.54 79.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.978 0.418 . . . . 0.0 110.886 -177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -72.07 -36.49 69.56 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.839 -175.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -93.33 -25.74 17.6 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -170.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.51 130.07 34.06 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.525 0.679 . . . . 0.0 110.666 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -99.44 -4.18 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.335 -169.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -68.04 -5.04 15.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.24 0.543 . . . . 0.0 110.814 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -92.67 -9.17 41.84 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.2 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m -79.83 90.16 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.203 0.525 . . . . 0.0 110.687 176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -120.19 95.81 0.6 Allowed Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.041 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.5 t -94.24 120.26 43.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.846 0.355 . . . . 0.0 110.356 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -93.59 -59.72 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -128.73 143.6 50.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.475 168.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.7 -134.05 1.78 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.939 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.552 179.071 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 120.699 0.285 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 m -70.68 -32.24 69.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.085 0.469 . . . . 0.0 110.807 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.7 p-80 -109.97 143.88 39.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.575 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.5 t60 -123.29 126.22 46.49 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.871 0.367 . . . . 0.0 110.988 -178.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.9 m -97.74 141.2 31.04 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 170.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.984 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 10.7 tp10 -146.3 143.58 29.24 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -174.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.3 t -123.35 118.2 53.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -116.63 107.03 14.19 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 57.31 18.62 4.44 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.217 0.607 . . . . 0.0 111.912 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.98 -16.99 22.72 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.481 -179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.3 141.75 24.3 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.037 -0.601 . . . . 0.0 111.914 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -91.5 116.5 28.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.597 0.237 . . . . 0.0 110.793 -176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.984 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.2 mt -101.26 119.42 49.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.874 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -108.47 104.77 14.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.552 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.575 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 56.7 mt -110.86 126.9 68.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.167 0.508 . . . . 0.0 111.325 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.719 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 10.3 mm-40 -114.4 124.14 51.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.845 175.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 t70 62.96 14.97 7.97 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.308 0.575 . . . . 0.0 111.133 176.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.532 ' HA ' ' CG2' ' A' ' 15' ' ' ILE . 12.9 t70 66.37 5.54 3.79 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.528 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.475 ' HB ' ' HE1' ' A' ' 32' ' ' HIS . 2.7 p -125.07 -42.35 2.03 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 122.192 -0.317 . . . . 0.0 111.713 -178.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.719 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 17.3 m -64.63 114.35 4.34 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.767 177.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.99 115.54 30.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.027 0.442 . . . . 0.0 111.134 -172.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -135.98 139.11 42.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.98 170.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 71.5 mt -128.85 120.43 52.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 60.74 22.94 12.86 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 121.571 0.701 . . . . 0.0 110.492 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.36 -12.34 66.57 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.818 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -97.26 130.33 44.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.848 -0.207 . . . . 0.0 110.463 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -80.65 142.06 34.35 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 59' ' ' ILE . 49.5 mm -105.41 127.23 60.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.03 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.4 m -62.5 103.89 0.46 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.313 0.577 . . . . 0.0 110.338 174.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -107.1 175.22 5.57 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.516 -176.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.9 t -107.26 81.37 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 114.588 -1.187 . . . . 0.0 108.662 172.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.475 ' HE1' ' HB ' ' A' ' 19' ' ' THR . 0.2 OUTLIER -83.88 93.09 7.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.134 -179.3 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.597 ' OD2' HG23 ' A' ' 35' ' ' VAL . 27.3 t70 71.05 165.02 0.28 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.652 -178.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -105.57 22.41 15.55 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 -168.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.597 HG23 ' OD2' ' A' ' 33' ' ' ASP . 77.7 t -58.12 -56.84 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.155 0.502 . . . . 0.0 110.196 173.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -100.04 -42.35 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.111 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 t30 67.58 -75.3 0.06 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.256 0.972 . . . . 0.0 109.946 -175.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? 58.8 65.98 1.14 Allowed 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.581 0.551 . . . . 0.0 111.895 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.429 ' HD1' ' HG2' ' A' ' 42' ' ' ARG . 31.2 t-105 66.9 -178.19 0.21 Allowed 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.813 0.696 . . . . 0.0 110.189 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -98.56 173.61 6.85 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -54.41 107.9 0.32 Allowed 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 120.812 0.339 . . . . 0.0 110.104 176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.429 ' HG2' ' HD1' ' A' ' 39' ' ' TRP . 56.9 mtp180 -67.83 -10.56 53.98 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -169.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -79.66 -12.27 59.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.91 HD11 HG12 ' A' ' 59' ' ' ILE . 5.3 mp -120.41 88.57 42.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.026 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.24 96.9 0.15 Allowed 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.904 2.403 . . . . 0.0 112.627 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.5 p90 43.47 56.88 4.15 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.288 1.035 . . . . 0.0 113.169 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.551 ' OG1' ' HB3' ' A' ' 44' ' ' LEU . 37.0 p -105.83 165.08 11.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.202 175.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -97.51 134.64 40.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.002 0.429 . . . . 0.0 110.943 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -158.89 176.09 12.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.271 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -143.4 -49.96 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -97.97 165.55 11.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.04 -171.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.3 tt -72.97 -46.27 53.28 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -67.79 -37.36 81.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.086 0.47 . . . . 0.0 110.309 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -60.31 -42.74 96.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.152 174.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.606 ' O ' HG13 ' A' ' 59' ' ' ILE . 50.3 tp -57.6 -50.39 73.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.718 175.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.77 -42.98 80.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.63 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -70.95 -34.64 71.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.801 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.15 77.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 177.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.91 HG12 HD11 ' A' ' 44' ' ' LEU . 71.2 mt -61.72 -49.92 82.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.5 178.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.14 -39.57 81.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.615 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -63.11 -32.62 74.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.042 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -92.79 -5.64 50.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 0.0 111.634 -173.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.3 p -126.41 138.91 53.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.378 0.609 . . . . 0.0 111.367 -178.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 p -90.98 -5.72 10.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.756 0.789 . . . . 0.0 109.537 178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -62.3 -43.52 98.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.898 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -88.76 -31.71 18.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.052 0.453 . . . . 0.0 110.428 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.9 m -85.95 75.87 9.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.639 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.43 139.06 15.41 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.739 -177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.5 t -91.89 128.83 43.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -79.95 -55.89 4.64 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.662 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -165.3 130.55 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.052 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.4 73.79 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.773 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.7 m . . . . . 0 C--O 1.245 0.831 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.896 -179.329 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.937 0.399 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 16' ' ' GLU . 6.7 p -95.45 145.46 25.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.889 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.579 ' CD2' ' HG3' ' A' ' 16' ' ' GLU . 1.7 m170 -122.45 105.25 9.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.238 0.542 . . . . 0.0 110.5 175.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.579 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 86.4 t60 -103.75 120.7 41.48 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.442 179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 0.2 OUTLIER -119.51 128.86 54.35 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.806 -178.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -136.72 148.22 47.19 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.2 t -112.31 122.6 66.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.911 0.386 . . . . 0.0 110.312 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -115.88 105.29 12.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.581 177.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 51.24 27.11 3.31 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.161 177.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 115.63 -25.43 9.65 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.943 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.41 134.23 12.33 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.641 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.3 m -95.73 124.82 39.92 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.995 0.426 . . . . 0.0 111.476 -176.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 5' ' ' THR . 74.8 mt -98.15 120.38 47.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.921 177.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.38 109.24 18.38 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.581 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 41.8 mt -109.8 127.34 66.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.592 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 14.0 tt0 -125.37 132.32 52.82 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 121.029 0.443 . . . . 0.0 110.995 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 1.3 t70 49.0 40.96 18.21 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.657 -1.156 . . . . 0.0 113.097 165.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 6.0 t70 74.97 -52.65 0.67 Allowed 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 173.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -95.0 -21.96 18.25 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -168.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.592 ' HB2' ' HB3' ' A' ' 16' ' ' GLU . 19.3 m -93.42 105.7 17.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.112 0.482 . . . . 0.0 111.635 -173.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.59 ' HB3' ' HE2' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -102.98 120.69 41.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.993 176.679 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p -129.6 141.75 50.89 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.002 175.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.1 mt -126.07 120.33 56.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 64.19 12.61 7.23 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 121.332 0.587 . . . . 0.0 110.636 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.0 -35.15 4.17 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.793 -0.718 . . . . 0.0 113.061 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.445 ' NZ ' ' HB2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -87.21 147.89 25.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.009 0.404 . . . . 0.0 111.392 -175.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -69.8 144.41 52.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.161 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.416 ' CG1' HD12 ' A' ' 21' ' ' LEU . 36.8 mm -100.74 136.23 33.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 174.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 m -98.25 132.85 43.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.495 178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.59 ' HE2' ' HB3' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -130.31 160.11 34.93 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -175.404 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG23 ' H ' ' A' ' 38' ' ' LYS . 3.2 p -76.81 84.62 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 122.181 0.991 . . . . 0.0 108.914 168.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.73 157.86 17.76 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.997 -172.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 t70 63.92 -173.82 0.17 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.665 0.603 . . . . 0.0 110.769 175.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -105.85 -29.35 10.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.033 0.444 . . . . 0.0 110.286 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -83.69 -33.82 9.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.492 0.663 . . . . 0.0 109.683 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -89.37 4.39 49.1 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.051 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -64.74 110.2 2.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.145 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HD2' ' HA ' ' A' ' 38' ' ' LYS . 22.6 tptt -103.43 -164.91 1.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.439 ' CE3' ' HG3' ' A' ' 38' ' ' LYS . 48.2 p90 -73.07 -46.05 53.85 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.04 -0.664 . . . . 0.0 110.553 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.0 m -164.22 178.48 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -73.77 133.64 43.31 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.039 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -77.77 72.34 4.3 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.493 0.663 . . . . 0.0 111.401 -175.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -143.4 -63.9 0.39 Allowed 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.906 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 59' ' ' ILE . 7.2 mp -101.02 162.24 21.21 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.682 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 44' ' ' LEU . 40.5 Cg_endo -68.39 83.17 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.568 2.179 . . . . 0.0 112.359 177.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 70.89 -69.47 0.18 Allowed 'General case' 0 CA--C 1.517 -0.291 0 C-N-CA 124.225 1.01 . . . . 0.0 110.114 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 p 52.9 141.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.385 1.474 . . . . 0.0 113.964 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -95.49 106.17 18.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.787 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -136.68 143.4 43.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.223 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -126.09 -10.56 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.204 0.526 . . . . 0.0 110.746 -179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.427 ' HB3' ' CB ' ' A' ' 54' ' ' ASP . 41.3 t -112.03 138.5 48.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.192 176.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.525 HD21 HD23 ' A' ' 21' ' ' LEU . 10.1 tt -64.79 -40.97 96.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.925 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -65.65 -40.08 92.09 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.484 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.427 ' CB ' ' HB3' ' A' ' 51' ' ' SER . 38.8 t70 -64.98 -41.72 95.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.358 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 tt -57.38 -50.79 71.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.268 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.98 92.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.66 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -69.56 -32.8 71.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.102 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.2 90.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.634 179.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.538 ' HA ' HD11 ' A' ' 44' ' ' LEU . 65.5 mt -62.64 -51.26 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.387 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.5 mt -60.28 -38.84 78.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.029 0.443 . . . . 0.0 111.167 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -63.56 -43.47 96.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.557 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -93.89 -19.03 21.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -172.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.5 p -113.35 93.93 4.63 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.819 0.818 . . . . 0.0 109.239 172.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.1 m -74.1 -9.44 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.909 -1.041 . . . . 0.0 113.542 -167.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -77.88 -1.5 32.02 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.729 -0.389 . . . . 0.0 111.738 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -78.42 -21.39 49.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.043 0.449 . . . . 0.0 110.36 173.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 m -81.67 96.37 7.5 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 173.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.76 -39.17 76.98 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.864 -0.607 . . . . 0.0 113.309 -174.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.4 t -95.2 98.7 8.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.918 0.389 . . . . 0.0 110.552 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -101.47 143.35 31.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.762 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -99.95 126.62 46.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.856 0.36 . . . . 0.0 110.335 178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -74.34 131.4 13.32 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.623 177.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 60.4 m . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.78 -0.628 . . . . 0.0 110.297 179.808 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.0 ttp . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.861 0.362 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.96 -40.21 13.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.305 0.574 . . . . 0.0 109.751 175.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -116.51 136.17 53.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.436 -0.802 . . . . 0.0 108.919 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.548 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 80.3 t60 -98.86 116.97 32.29 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.25 123.83 38.97 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.53 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.643 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 5.1 tp10 -147.04 136.66 22.95 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.3 p -116.74 128.04 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.231 0.539 . . . . 0.0 110.659 177.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.478 ' O ' HG21 ' A' ' 60' ' ' ILE . 47.4 t80 -129.99 110.08 11.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.181 -178.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.592 ' HB3' ' HE2' ' A' ' 70' ' ' LYS . 18.4 mm-40 52.88 41.53 31.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.105 176.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.51 -13.95 56.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.756 178.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.17 132.99 11.53 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.347 177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 m -88.95 131.44 35.15 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 120.972 0.415 . . . . 0.0 110.949 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.643 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.2 mt -98.44 119.39 46.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 175.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -114.63 102.77 10.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.087 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.548 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 66.2 mt -113.02 119.26 60.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -106.15 129.31 54.24 Favored 'General case' 0 CA--C 1.51 -0.586 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.126 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.433 ' C ' ' H ' ' A' ' 19' ' ' THR . 35.2 t70 61.38 13.29 4.88 Favored 'General case' 0 C--N 1.317 -0.839 0 O-C-N 124.005 0.816 . . . . 0.0 111.922 169.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 64.77 -9.34 0.19 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.254 0.621 . . . . 0.0 111.791 -174.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.433 ' H ' ' C ' ' A' ' 17' ' ' ASP . 13.1 m -94.59 -33.72 12.91 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.894 0.378 . . . . 0.0 111.369 -174.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -101.64 148.48 25.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.377 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.402 HD12 ' HB ' ' A' ' 28' ' ' ILE . 0.3 OUTLIER -127.56 116.3 20.15 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.326 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.23 137.66 42.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.485 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.495 ' C ' ' H ' ' A' ' 25' ' ' GLY . 72.6 mt -114.29 114.13 45.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 71.04 -33.91 0.28 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.718 0.807 . . . . 0.0 111.269 -174.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.495 ' H ' ' C ' ' A' ' 23' ' ' ILE . . . 159.15 -20.11 0.28 Allowed Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.242 -177.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 27' ' ' GLU . 10.5 tmtt? -79.19 131.37 36.18 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -76.52 134.82 39.36 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.016 0.436 . . . . 0.0 110.855 -176.536 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.402 ' HB ' HD12 ' A' ' 21' ' ' LEU . 48.5 mm -101.69 123.18 54.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.979 0.419 . . . . 0.0 111.439 -175.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.9 p -74.2 146.72 43.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.88 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.543 ' HB3' ' CD2' ' A' ' 32' ' ' HIS . 13.6 t80 -174.03 -175.53 1.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 -175.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 31' ' ' VAL . 4.8 p -79.88 87.98 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 171.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.543 ' CD2' ' HB3' ' A' ' 30' ' ' TYR . 1.2 m-70 -120.54 132.9 55.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.916 -171.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 35' ' ' VAL . 29.1 t70 68.89 -0.71 2.3 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 124.024 0.828 . . . . 0.0 112.578 168.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 69.13 -14.5 0.3 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.553 0.741 . . . . 0.0 112.426 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.401 ' H ' ' C ' ' A' ' 33' ' ' ASP . 62.1 t -90.37 -37.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.636 0.255 . . . . 0.0 110.797 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 4.2 mptp? -67.7 -71.18 0.22 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.958 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 44.39 89.7 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -128.65 26.1 5.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.663 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 22.8 m-90 61.92 101.43 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.381 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.7 m 63.53 -173.1 0.16 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.432 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.95 -21.17 25.03 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.073 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 63.51 25.75 14.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.798 0.808 . . . . 0.0 110.403 -174.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -101.73 -56.4 2.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.351 -0.84 . . . . 0.0 108.967 174.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.488 HD22 ' HB1' ' A' ' 58' ' ' ALA . 8.5 mp -104.45 158.92 30.93 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.061 172.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.425 ' C ' ' H ' ' A' ' 47' ' ' THR . 31.3 Cg_exo -59.39 -163.39 0.02 OUTLIER 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 123.342 2.695 . . . . 0.0 113.261 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -74.03 30.44 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.773 -177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.425 ' H ' ' C ' ' A' ' 45' ' ' PRO . 16.9 p -63.09 155.33 28.2 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.837 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -76.67 97.66 4.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.76 -173.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -137.39 137.91 39.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.327 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -147.47 3.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.199 0.523 . . . . 0.0 111.404 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 61.8 m -111.85 140.22 46.68 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 122.022 -0.424 . . . . 0.0 109.862 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 52' ' ' LEU . 3.8 mm? -63.32 -41.37 98.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.704 0.288 . . . . 0.0 110.85 -176.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.602 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 tm? -68.7 -40.32 80.07 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.413 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 27.0 t70 -62.65 -46.96 85.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.854 179.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -59.45 -43.41 93.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.295 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.72 93.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.114 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.602 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 63.6 mtm180 -65.93 -45.27 82.49 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.682 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.488 ' HB1' HD22 ' A' ' 44' ' ' LEU . . . -57.4 -39.51 76.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 -176.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.51 -50.14 69.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.718 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.478 HG21 ' O ' ' A' ' 8' ' ' PHE . 70.0 mt -63.26 -38.36 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.362 0.601 . . . . 0.0 110.597 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -63.14 -37.62 87.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.756 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -96.06 -25.8 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -173.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.8 p -116.76 118.55 32.83 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.246 0.546 . . . . 0.0 110.818 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.5 m -80.76 -7.32 10.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.635 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.39 -31.36 72.02 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.41 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -84.45 3.25 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.851 0.358 . . . . 0.0 111.111 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 t -113.59 142.69 45.67 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.2 -73.88 1.28 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.704 -0.76 . . . . 0.0 111.908 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.7 p -141.51 -5.27 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.16 0.505 . . . . 0.0 110.236 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.592 ' HE2' ' HB3' ' A' ' 9' ' ' GLU . 92.5 mttt 69.53 -64.05 0.36 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.823 -178.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 59.19 87.78 0.08 Allowed 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.792 0.683 . . . . 0.0 110.725 -174.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -97.57 -167.84 32.47 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.449 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.8 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.015 176.382 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.93 0.395 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.8 p -90.38 -24.99 20.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.411 0.624 . . . . 0.0 109.74 175.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 31.9 p-80 -128.52 135.55 49.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.752 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.516 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 86.2 t60 -109.03 118.02 35.71 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -94.56 138.33 32.58 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.045 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.967 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 4.7 tp10 -143.54 136.76 27.9 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.8 t -115.91 116.64 52.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 175.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.416 ' O ' HG21 ' A' ' 60' ' ' ILE . 11.2 t80 -129.1 108.25 10.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.127 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 56.64 25.47 10.04 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.854 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.04 -5.11 52.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.767 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.58 144.71 17.25 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.51 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.2 m -105.05 116.68 32.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.967 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 70.4 mt -97.2 119.82 45.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.862 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -113.24 105.36 13.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.156 -0.929 . . . . 0.0 109.583 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.516 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 66.2 mt -110.48 120.7 61.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.768 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 33.9 mt-10 -119.92 123.38 43.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.062 0.458 . . . . 0.0 112.224 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 17.8 t70 45.14 48.64 9.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.444 -1.253 . . . . 0.0 112.218 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.42 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 2.3 t70 75.14 -53.19 0.66 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 173.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.6 m -90.32 -31.39 16.94 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -167.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.768 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 4.2 t -79.49 104.31 10.01 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.45 HD22 HG12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -110.31 115.57 29.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.151 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.73 141.62 46.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.592 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 80.5 mt -129.29 116.33 39.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 175.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 65.44 8.54 5.09 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.572 0.545 . . . . 0.0 111.797 -178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.86 -10.93 49.06 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.805 -175.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -85.85 137.74 32.55 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.65 140.18 35.81 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.439 -0.505 . . . . 0.0 110.163 -178.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.0 mm -109.4 96.67 4.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.2 t -91.08 99.22 12.28 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.788 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.438 ' HE1' HD22 ' A' ' 55' ' ' LEU . 13.6 m-85 -81.7 147.73 29.35 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 172.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.1 t -91.22 77.19 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.74 73.02 10.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.831 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -148.57 157.92 43.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.711 -175.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -123.17 -11.35 8.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.022 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.1 t -78.14 -41.4 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.288 0.566 . . . . 0.0 110.671 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -84.35 -0.51 52.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.127 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 59.86 23.71 12.71 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.298 175.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -117.52 93.64 4.24 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.082 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -96.16 93.32 6.87 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 173.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.0 m -156.25 173.54 16.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.026 0.441 . . . . 0.0 111.018 -175.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 p -114.87 -13.58 11.97 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.505 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 74.68 -46.33 0.6 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.739 0.816 . . . . 0.0 111.602 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -60.76 -34.5 74.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.799 0.333 . . . . 0.0 111.405 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.862 HD11 HG12 ' A' ' 59' ' ' ILE . 6.6 mp -98.18 144.02 27.31 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.935 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -83.06 82.94 2.03 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.046 2.497 . . . . 0.0 112.27 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.0 p90 44.2 30.18 0.42 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.563 1.145 . . . . 0.0 113.281 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.24 165.16 19.01 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.878 0.37 . . . . 0.0 110.511 177.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -88.81 129.49 35.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.164 0.507 . . . . 0.0 111.583 -176.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.545 ' CG ' ' HG ' ' A' ' 55' ' ' LEU . 7.8 p90 -159.04 158.48 33.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.023 175.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -136.45 -42.94 0.62 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.573 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 55' ' ' LEU . 16.1 m -108.22 170.71 7.84 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.139 -170.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.4 -51.84 32.68 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 -173.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.6 -38.24 77.2 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.073 0.464 . . . . 0.0 109.769 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.95 -41.77 88.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.609 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.642 ' O ' HG13 ' A' ' 59' ' ' ILE . 1.4 tt -69.05 -51.03 43.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.896 178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.421 ' HA ' HD12 ' A' ' 59' ' ' ILE . . . -57.35 -43.09 83.15 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.931 -177.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -69.17 -31.15 69.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.969 0.414 . . . . 0.0 110.8 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.15 -33.93 72.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.503 176.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.862 HG12 HD11 ' A' ' 44' ' ' LEU . 62.9 mt -61.66 -50.83 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.334 179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.416 HG21 ' O ' ' A' ' 8' ' ' PHE . 70.7 mt -65.52 -39.84 86.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -177.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 28.7 ttt85 -74.9 -16.5 60.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.452 -175.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -105.89 -24.93 12.34 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.865 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.6 p -124.65 110.34 14.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.242 0.544 . . . . 0.0 110.734 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 t -71.36 -18.71 20.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.131 -172.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -67.51 -4.45 11.56 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -100.71 7.26 43.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.46 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t -85.13 138.73 32.21 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 172.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.48 12.73 61.51 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.315 -0.945 . . . . 0.0 113.706 -171.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.9 p -152.9 139.03 12.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 117.202 0.501 . . . . 0.0 110.962 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -101.88 156.02 17.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.089 175.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -85.67 -11.31 54.09 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.431 0.634 . . . . 0.0 109.934 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 143.7 -161.08 27.77 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.214 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.6 m . . . . . 0 C--O 1.245 0.845 0 CA-C-O 118.715 -0.66 . . . . 0.0 109.8 177.397 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.6 m -108.42 -20.6 13.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.823 -173.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 13.8 p-80 -123.29 137.72 54.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.96 -0.696 . . . . 0.0 111.774 -178.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.553 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 57.5 t60 -106.05 120.2 41.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.286 170.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -106.06 137.71 43.52 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -149.56 136.19 19.35 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 11' ' ' GLY . 61.0 t -107.45 115.94 49.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.239 0.542 . . . . 0.0 111.346 -176.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -112.21 106.35 14.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.647 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' HA ' ' OE1' ' A' ' 9' ' ' GLU . 5.2 mm-40 54.41 36.35 25.27 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.107 0.479 . . . . 0.0 111.698 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.49 -11.99 70.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.313 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 7' ' ' VAL . . . -86.17 140.16 17.4 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.406 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.4 m -102.09 117.1 34.08 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.049 0.452 . . . . 0.0 110.815 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.4 mt -96.47 119.92 45.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.476 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -115.89 116.73 28.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.733 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.553 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 60.2 mt -109.65 120.25 60.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 1.016 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 42.1 mt-10 -101.96 115.98 31.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.467 -178.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 27.8 t70 51.54 42.37 29.42 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.877 170.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.465 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 19.8 t70 75.17 -12.36 0.97 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.069 0.766 . . . . 0.0 113.069 172.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.4 p -120.93 -54.6 2.02 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -173.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 1.016 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 8.4 t -65.49 117.16 7.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.736 0.303 . . . . 0.0 110.948 -172.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.663 HD12 ' HB ' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -99.43 116.37 31.44 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 178.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -130.94 138.66 49.84 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.693 177.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 69.0 mt -127.44 119.66 52.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 61.36 16.94 7.86 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.073 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.19 -21.69 32.84 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.917 -0.658 . . . . 0.0 112.468 -179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -89.14 129.13 35.79 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.4 140.19 39.85 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.816 0.341 . . . . 0.0 110.652 -176.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.663 ' HB ' HD12 ' A' ' 21' ' ' LEU . 47.4 mm -104.36 120.33 54.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.951 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.7 m -94.36 109.49 21.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.984 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -94.49 167.82 11.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.475 0.655 . . . . 0.0 111.36 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.1 t -107.28 92.08 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 114.768 -1.106 . . . . 0.0 109.263 175.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -114.15 105.5 13.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.268 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.5 t70 73.24 -15.32 0.55 Allowed 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.494 0.718 . . . . 0.0 112.361 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.72 94.33 6.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.109 0.481 . . . . 0.0 110.854 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.1 t -72.5 -30.8 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.844 -176.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -76.11 -10.32 59.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.922 -176.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' HB3' ' H ' ' A' ' 38' ' ' LYS . 6.2 m-20 -82.55 -155.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.647 0.26 . . . . 0.0 110.979 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' H ' ' HB3' ' A' ' 37' ' ' ASN . 36.6 tttp -78.83 167.01 21.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.296 -0.252 . . . . 0.0 110.325 -177.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -73.89 -28.29 61.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.85 0.357 . . . . 0.0 111.222 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.1 p -148.75 -178.08 6.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.127 0.489 . . . . 0.0 111.386 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -78.52 -0.73 30.71 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.232 -0.894 . . . . 0.0 111.677 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 58.15 -36.34 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 126.003 1.721 . . . . 0.0 115.241 177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -67.81 -25.47 65.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 118.441 0.564 . . . . 0.0 111.545 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.85 153.64 37.62 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.187 -175.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -66.08 -172.78 0.29 Allowed 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 123.154 2.569 . . . . 0.0 112.655 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.1 p90 -82.68 41.63 0.73 Allowed 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.161 -175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 48' ' ' GLN . 1.0 OUTLIER -105.59 170.81 7.67 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.458 ' H ' HG22 ' A' ' 47' ' ' THR . 15.7 pt20 -105.4 123.68 48.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.251 0.548 . . . . 0.0 110.313 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -134.59 120.81 20.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.619 -178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -106.68 -21.89 12.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.969 0.414 . . . . 0.0 110.546 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.837 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 10.5 m -79.13 126.54 30.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.484 HD11 HD23 ' A' ' 21' ' ' LEU . 2.8 tm? -65.2 -44.62 87.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.036 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.97 -34.11 77.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.837 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 8.8 t0 -65.84 -41.34 91.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 178.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.452 ' O ' HG13 ' A' ' 59' ' ' ILE . 8.9 tt -59.88 -49.93 75.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.117 177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.42 90.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.366 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -67.31 -39.41 85.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.967 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.49 -34.27 72.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.842 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 55' ' ' LEU . 82.8 mt -62.9 -51.04 76.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.49 178.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.2 mt -64.33 -38.87 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.768 0.794 . . . . 0.0 109.659 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -58.42 -43.84 88.83 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.475 -1.238 . . . . 0.0 112.279 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.13 -0.41 26.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -172.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.488 ' OG1' ' HD2' ' A' ' 66' ' ' PHE . 64.2 p -120.28 126.6 50.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.126 0.488 . . . . 0.0 110.039 173.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.28 -31.0 42.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.176 -172.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -74.92 -16.37 60.66 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -173.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.488 ' HD2' ' OG1' ' A' ' 63' ' ' THR . 50.1 m-85 -92.39 -13.11 30.6 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.618 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.1 m -83.37 139.13 33.19 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -103.58 163.68 15.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.664 -172.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.5 t 66.63 93.52 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 123.41 0.684 . . . . 0.0 112.383 177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -106.21 90.86 3.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.433 169.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 59.47 95.85 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.893 0.745 . . . . 0.0 111.161 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.15 120.67 0.64 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.146 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.95 177.929 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.484 1.266 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.4 m -88.52 -35.27 17.06 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.341 0.591 . . . . 0.0 109.456 175.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.482 ' HB3' ' HG2' ' A' ' 16' ' ' GLU . 17.2 p-80 -121.78 138.23 54.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.371 175.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -108.44 123.33 48.7 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.437 -176.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.11 134.11 54.76 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.49 176.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -160.62 163.22 32.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.741 176.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.8 t -116.08 124.8 72.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 174.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -111.51 106.28 15.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.098 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 49.57 31.21 3.98 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 175.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.42 -20.97 20.27 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 120.577 -0.821 . . . . 0.0 112.72 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.55 136.17 13.06 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.822 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -88.49 130.87 35.11 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.473 0.177 . . . . 0.0 110.871 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 27.7 mm -102.78 119.12 50.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.871 0.367 . . . . 0.0 110.219 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -120.26 102.4 8.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.299 175.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.476 HG12 HD22 ' A' ' 21' ' ' LEU . 63.9 mt -119.77 122.92 69.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.795 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 27.3 mt-10 -121.79 117.38 26.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.22 0.533 . . . . 0.0 112.126 178.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 t0 48.84 40.89 17.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.481 -1.236 . . . . 0.0 112.625 172.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.4 t70 74.04 -35.71 0.31 Allowed 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.861 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.2 p -79.56 -49.31 12.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.795 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 19.1 t -73.78 96.25 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.465 -177.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.993 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -105.79 113.12 26.48 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 173.378 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.87 124.5 22.32 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 178.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 73.8 mt -106.33 107.7 23.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 58.01 20.53 6.91 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.046 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.25 -19.8 13.02 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.762 178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -88.15 122.85 32.19 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 122.444 -0.445 . . . . 0.0 110.574 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 21' ' ' LEU . 12.4 pt-20 -80.48 120.4 24.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.412 0.625 . . . . 0.0 109.675 175.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.2 mm -90.47 116.88 32.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.738 -175.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.2 p -74.79 111.89 10.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.256 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.993 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 78.2 m-85 -112.72 166.83 11.0 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.804 174.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -112.21 106.54 20.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 169.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -72.85 98.82 2.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.66 -173.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 t70 69.12 135.86 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 124.475 1.109 . . . . 0.0 110.602 -174.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.537 ' HB1' ' HB3' ' A' ' 38' ' ' LYS . . . -148.96 127.89 12.66 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.522 -174.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -116.83 -67.7 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.282 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -94.63 -41.22 9.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.193 0.52 . . . . 0.0 110.241 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -101.63 112.2 24.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.691 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.537 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -139.95 93.02 2.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.238 0.542 . . . . 0.0 111.906 -176.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 4.6 m-90 -86.65 -25.74 24.7 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 171.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m 60.07 -164.5 0.22 Allowed 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.276 178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 p -65.1 112.79 3.53 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 120.926 0.394 . . . . 0.0 110.862 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 42' ' ' ARG . 15.0 tpt180 -68.56 -36.24 78.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.26 -177.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.56 -25.56 61.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.955 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.519 HD22 ' HA ' ' A' ' 59' ' ' ILE . 34.7 tp -152.75 87.19 4.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 0.0 109.912 -179.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -76.17 119.6 5.38 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 123.185 2.59 . . . . 0.0 113.62 -171.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 57.59 64.53 1.55 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.491 170.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.78 172.8 11.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.021 176.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -90.33 86.58 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 175.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.505 ' CD1' HD13 ' A' ' 55' ' ' LEU . 50.3 p90 -131.9 171.15 13.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.068 -176.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -115.7 -45.35 2.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.84 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.7 p -118.37 168.19 10.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.792 -178.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.7 tp -70.2 -33.06 71.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.119 0.485 . . . . 0.0 110.065 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.56 -42.26 87.35 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.26 -37.66 88.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.292 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.505 HD13 ' CD1' ' A' ' 49' ' ' TYR . 57.4 tp -62.64 -44.72 95.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.973 177.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.76 -44.11 81.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.98 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -70.82 -34.21 71.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.837 177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.65 -34.64 74.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.884 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.519 ' HA ' HD22 ' A' ' 44' ' ' LEU . 64.5 mt -64.56 -49.93 78.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.933 178.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.88 -40.32 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-O 121.388 0.614 . . . . 0.0 110.159 178.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -59.06 -36.08 74.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.763 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -94.11 -25.35 17.19 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -173.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.1 p -82.3 137.33 34.84 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.518 0.675 . . . . 0.0 111.629 -175.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.7 m -97.54 -24.35 4.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.449 -177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -75.21 -33.77 61.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.962 0.41 . . . . 0.0 111.168 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -74.75 -25.76 59.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 109.879 174.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 54.5 m -95.3 34.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.3 176.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -106.03 9.07 42.84 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.651 -179.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.9 t -98.0 108.61 22.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.875 0.369 . . . . 0.0 110.446 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -86.95 -51.7 5.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.141 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -120.31 144.03 48.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.504 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.14 -61.44 0.5 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.441 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.448 -0.787 . . . . 0.0 110.346 179.719 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 m -149.15 112.03 4.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.219 -176.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.6 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 4.7 p-80 -120.99 135.83 55.12 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.458 0.647 . . . . 0.0 111.815 178.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -98.56 120.84 39.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.301 175.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.688 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 11.1 m -131.16 139.55 49.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.202 0.525 . . . . 0.0 110.687 179.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -159.78 142.47 13.71 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.985 177.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.6 t -96.36 116.36 38.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.007 0.432 . . . . 0.0 110.064 175.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.412 ' HE2' ' HB2' ' A' ' 61' ' ' ARG . 40.7 t80 -109.76 106.34 15.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.456 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 54.47 18.92 2.12 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.46 -17.44 14.05 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.667 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.51 133.22 11.41 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.608 ' H ' ' HB2' ' A' ' 24' ' ' ASN . 19.6 m -96.09 125.24 40.49 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.646 0.26 . . . . 0.0 111.139 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.688 ' O ' ' HA ' ' A' ' 5' ' ' THR . 69.7 mt -97.9 119.81 46.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -126.29 113.58 17.13 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.6 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 61.7 mt -119.6 119.22 59.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -114.14 128.22 56.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.138 0.494 . . . . 0.0 111.867 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.7 t0 61.4 29.58 18.57 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.412 171.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.4 t70 66.38 17.87 10.76 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.921 0.867 . . . . 0.0 110.292 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 p -140.23 -166.24 2.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.962 178.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 m 53.14 82.75 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.435 0.46 . . . . 0.0 111.75 172.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.916 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -89.73 114.77 26.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -179.696 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -135.27 129.38 33.49 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.612 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.447 HD12 HG13 ' A' ' 28' ' ' ILE . 67.3 mt -118.77 106.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 175.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.608 ' HB2' ' H ' ' A' ' 12' ' ' THR . 61.5 t30 50.56 50.98 17.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.164 177.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.38 -9.75 66.33 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.714 -0.675 . . . . 0.0 113.174 177.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -96.88 141.42 30.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.652 -0.322 . . . . 0.0 110.245 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.38 130.07 39.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.272 0.558 . . . . 0.0 110.461 177.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.734 ' HB ' HD12 ' A' ' 21' ' ' LEU . 29.6 mm -116.21 104.69 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.541 -176.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.9 m -75.97 -26.26 56.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.275 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.916 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 95.2 m-85 59.37 -163.19 0.23 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -170.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 p -100.63 73.86 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 122.383 1.087 . . . . 0.0 108.841 169.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -96.21 72.67 2.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.282 -173.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -175.03 -25.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.93 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -145.11 107.2 4.32 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.2 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.4 t -85.92 -30.0 6.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.245 0.545 . . . . 0.0 109.863 176.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -79.03 -49.28 12.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.273 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -88.17 77.54 8.28 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 173.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -92.66 130.79 38.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.784 -171.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -114.16 -4.81 13.07 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.507 -0.769 . . . . 0.0 108.938 172.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 56.0 m 67.72 -176.16 0.2 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.192 -172.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.4 m -60.93 139.53 57.99 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 42' ' ' ARG . 14.0 ptm180 -58.19 -27.88 64.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 111.731 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.429 ' C ' HD12 ' A' ' 44' ' ' LEU . 93.4 m-85 -74.67 -33.62 62.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.025 0.44 . . . . 0.0 110.488 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 62' ' ' ASP . 8.9 mp -128.98 83.34 66.51 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.176 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.51 139.1 30.84 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.434 2.09 . . . . 0.0 113.034 -174.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 61.44 22.86 13.21 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.302 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.684 HG21 ' HB3' ' A' ' 44' ' ' LEU . 6.6 p -76.89 150.59 36.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.906 0.384 . . . . 0.0 111.445 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -99.87 127.11 46.07 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.788 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -150.74 172.53 15.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.242 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -125.14 -46.76 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.212 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.5 t -111.47 164.29 13.12 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -176.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.96 -40.56 65.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.849 0.357 . . . . 0.0 110.526 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.38 -39.8 89.31 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.73 -42.8 93.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.122 -0.944 . . . . 0.0 110.529 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.465 ' O ' HG13 ' A' ' 59' ' ' ILE . 1.3 tt -59.37 -46.64 88.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.268 178.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.08 82.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -66.86 -38.54 86.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.813 178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.45 -35.49 75.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 55' ' ' LEU . 84.5 mt -62.23 -48.76 86.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.584 178.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.411 HG21 ' O ' ' A' ' 8' ' ' PHE . 61.3 mt -69.39 -40.66 80.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.217 0.532 . . . . 0.0 110.964 -179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.412 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 50.0 ttt180 -62.99 -38.04 89.57 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.94 -177.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.689 ' HB3' HD21 ' A' ' 44' ' ' LEU . 17.8 t70 -89.99 -1.76 58.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.671 -172.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 31.1 p -116.04 -174.71 2.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.866 0.365 . . . . 0.0 111.145 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 72.5 t -129.81 -50.89 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.344 -178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -85.78 18.19 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -173.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.57 -3.26 58.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.025 0.44 . . . . 0.0 110.599 174.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.3 t -75.02 155.16 37.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.608 174.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.454 ' HA2' HD21 ' A' ' 24' ' ' ASN . . . -83.45 -103.62 0.53 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.737 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.39 125.23 60.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.076 0.465 . . . . 0.0 110.917 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.701 ' HG3' ' H ' ' A' ' 72' ' ' GLY . 54.6 tptt -157.93 138.68 13.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.697 175.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -56.49 -23.56 40.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.728 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.701 ' H ' ' HG3' ' A' ' 70' ' ' LYS . . . 174.52 -102.3 0.17 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.3 -0.857 . . . . 0.0 109.702 176.13 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.975 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.3 m 53.33 36.63 23.34 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 122.181 0.991 . . . . 0.0 109.563 -173.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 1.4 p80 -99.52 143.63 29.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.912 -172.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -113.8 118.2 33.6 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.51 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.28 128.45 55.09 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.834 177.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -155.99 145.14 20.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.58 -172.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.9 t -113.48 125.21 70.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.861 0.362 . . . . 0.0 110.035 176.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.418 ' O ' HG21 ' A' ' 60' ' ' ILE . 42.8 t80 -125.87 107.39 10.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.111 -177.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 56.7 29.31 15.6 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.719 0.408 . . . . 0.0 111.774 176.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.01 -10.06 58.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.686 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.405 ' HA3' HD13 ' A' ' 60' ' ' ILE . . . -90.74 145.29 17.82 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.085 -0.579 . . . . 0.0 111.769 179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.5 m -106.51 123.16 47.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.755 0.312 . . . . 0.0 110.634 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.466 HD12 ' HB1' ' A' ' 56' ' ' ALA . 37.4 mm -97.84 120.21 46.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.563 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -120.04 101.94 8.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.382 176.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 64.1 mt -113.63 120.54 63.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 10.1 tt0 -120.26 133.87 55.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.576 0.227 . . . . 0.0 110.678 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 59.89 14.23 4.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.271 171.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 57.01 18.5 4.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 122.894 0.478 . . . . 0.0 111.577 -174.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.6 p -126.46 -42.26 1.83 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.251 0.548 . . . . 0.0 110.667 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.461 ' HB2' ' HB3' ' A' ' 16' ' ' GLU . 51.1 m -85.61 103.9 14.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.386 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.819 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -101.18 115.55 30.74 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 177.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.7 132.0 36.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.8 mt -116.97 114.72 46.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.6 m120 62.24 24.38 14.51 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.338 0.589 . . . . 0.0 110.694 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.76 -6.4 77.02 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.416 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -94.12 122.95 37.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -70.39 128.97 38.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.092 0.472 . . . . 0.0 111.086 -177.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.81 ' HB ' HD12 ' A' ' 21' ' ' LEU . 47.5 mm -107.84 98.66 7.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.044 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 m -82.99 108.83 16.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.728 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.819 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 84.0 m-85 -83.49 164.92 19.56 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 31' ' ' VAL . 7.4 p -95.08 81.01 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 122.194 0.997 . . . . 0.0 110.677 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -92.33 88.01 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.078 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.493 ' HB3' ' HB2' ' A' ' 36' ' ' LYS . 25.3 t70 -147.66 149.15 31.93 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.275 -177.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.47 -34.32 54.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.738 -176.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.26 -46.88 15.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.056 0.455 . . . . 0.0 110.612 -176.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 33' ' ' ASP . 61.1 mttp -65.2 -42.71 93.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.983 179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.5 t30 66.7 166.62 0.22 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.23 -0.895 . . . . 0.0 112.04 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 38' ' ' LYS . 45.1 mtmt -84.87 104.27 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.411 -176.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 32.9 p-90 -104.33 -37.45 7.23 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.7 m -164.31 -167.13 1.23 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.415 ' O ' ' HG3' ' A' ' 42' ' ' ARG . 3.9 p -83.88 -85.34 0.13 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.022 172.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 41' ' ' SER . 87.8 mtt180 -165.04 -57.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.258 177.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.447 ' O ' ' HD3' ' A' ' 45' ' ' PRO . 13.2 m-85 -76.05 -27.17 57.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.911 -175.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -115.0 86.93 14.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.704 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 43' ' ' TYR . 2.8 Cg_exo -75.89 136.76 19.02 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.918 2.412 . . . . 0.0 112.59 -179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 62.9 66.57 0.74 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.579 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.17 154.27 51.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.891 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -96.17 98.37 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 111.053 -175.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.1 172.11 17.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.52 175.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -163.52 -35.39 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.805 0.336 . . . . 0.0 111.881 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 15.1 m -87.59 155.39 19.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.495 -174.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 52' ' ' LEU . 0.8 OUTLIER -64.96 -50.89 64.62 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.544 0.211 . . . . 0.0 111.363 -171.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.34 -38.44 84.86 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.335 0.588 . . . . 0.0 109.669 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.538 ' HB3' ' HB2' ' A' ' 51' ' ' SER . 5.5 t70 -58.64 -41.48 86.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.76 175.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 51' ' ' SER . 63.6 mt -61.23 -52.67 63.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.253 177.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.466 ' HB1' HD12 ' A' ' 13' ' ' ILE . . . -62.68 -45.15 94.11 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.768 -175.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -69.62 -37.26 76.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.76 84.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 110.645 178.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 55' ' ' LEU . 88.7 mt -62.92 -49.78 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.027 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.418 HG21 ' O ' ' A' ' 8' ' ' PHE . 68.2 mt -66.04 -39.93 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.196 0.522 . . . . 0.0 110.586 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -58.88 -36.38 74.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.501 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.0 9.48 38.62 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -173.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.1 p -125.49 157.94 35.72 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.275 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.4 m -107.27 -17.58 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.455 176.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -72.59 -24.81 61.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.66 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -99.5 15.01 27.87 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.848 0.356 . . . . 0.0 111.133 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.7 t -87.54 162.53 17.16 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.68 171.22 15.04 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.085 -1.055 . . . . 0.0 113.161 -174.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.2 p -83.59 -0.29 5.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.45 0.643 . . . . 0.0 110.228 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -82.96 92.85 7.42 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.547 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -78.9 127.73 32.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.738 -176.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -177.19 160.48 27.45 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.92 178.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.455 -0.783 . . . . 0.0 109.693 176.718 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 tpt . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 120.806 0.336 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.4 m -126.07 112.62 16.08 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.389 175.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -86.92 132.31 33.85 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.818 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -107.17 120.6 42.54 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.406 -0.517 . . . . 0.0 110.825 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -94.89 139.42 31.35 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 171.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 1.023 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 14.9 tp10 -143.78 136.5 27.24 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.2 t -122.96 116.51 48.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.504 ' O ' HG21 ' A' ' 60' ' ' ILE . 38.5 t80 -127.46 113.96 16.86 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.973 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 59.0 24.07 12.26 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.512 0.508 . . . . 0.0 111.371 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.76 -3.48 60.86 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.915 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.23 137.0 13.2 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.271 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 m -93.46 121.23 34.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 1.023 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 80.6 mt -98.3 120.22 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.324 177.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -105.25 115.39 30.18 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.019 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.3 mt -110.11 120.53 61.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.811 0.338 . . . . 0.0 110.493 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 26.1 mt-10 -125.43 134.7 52.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.697 -177.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 4.3 t70 51.11 27.73 3.55 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.066 171.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.454 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 22.6 t70 74.12 -49.66 0.68 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.464 0.705 . . . . 0.0 112.454 177.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 m -89.62 -24.12 21.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.432 0.531 . . . . 0.0 112.432 -173.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.518 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 20.5 t -78.24 102.57 7.68 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.907 0.384 . . . . 0.0 110.372 -177.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.48 HD12 ' HB ' ' A' ' 28' ' ' ILE . 0.4 OUTLIER -98.8 118.07 34.73 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.261 178.837 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.4 140.86 45.29 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.868 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 74.5 mt -131.18 120.74 47.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 66.46 11.02 7.77 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 121.469 0.652 . . . . 0.0 110.409 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.8 -5.84 60.09 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.978 -0.63 . . . . 0.0 111.783 -175.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -89.99 126.86 35.9 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -76.53 131.52 39.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.364 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.48 ' HB ' HD12 ' A' ' 21' ' ' LEU . 51.0 mm -108.75 102.8 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.924 -179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.5 m -89.07 116.59 27.46 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.338 173.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -100.31 163.16 12.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.451 0.643 . . . . 0.0 111.941 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.9 t -112.65 97.65 6.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 114.695 -1.138 . . . . 0.0 108.693 175.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -116.48 110.36 18.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.011 0.434 . . . . 0.0 111.585 -176.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -85.59 -25.62 26.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.656 174.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 69.4 -60.52 0.46 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.213 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.9 t -77.14 -60.33 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -173.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.94 -6.18 54.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -172.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.0 m120 61.08 86.93 0.1 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.559 0.537 . . . . 0.0 112.275 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -85.74 -171.31 3.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.203 174.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 48.3 p90 -65.23 158.09 27.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.012 0.434 . . . . 0.0 111.622 -176.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.0 m -71.86 172.35 10.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.896 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -54.08 144.62 18.98 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.959 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -64.55 -16.5 62.72 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -175.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -85.81 -4.36 59.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.992 0.425 . . . . 0.0 110.141 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.747 ' HG ' ' HB ' ' A' ' 47' ' ' THR . 15.7 tp -125.25 86.15 57.33 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.582 -175.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -65.55 101.37 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.505 2.803 . . . . 0.0 113.696 -171.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 71.09 -4.06 1.88 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.439 -0.8 . . . . 0.0 112.918 173.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.747 ' HB ' ' HG ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -69.63 164.22 23.84 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.145 0.498 . . . . 0.0 110.825 -178.386 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -128.35 151.32 49.47 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.304 -178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 28.1 p90 -143.92 165.66 27.12 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.821 0.343 . . . . 0.0 110.613 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -83.17 -53.86 5.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.824 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 p -156.09 -166.28 2.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.09 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.86 -46.51 89.12 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -171.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -64.09 -47.48 79.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.1 0.476 . . . . 0.0 110.047 -178.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.57 -33.96 76.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.664 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 tt -57.19 -51.72 68.21 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.943 177.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -42.61 93.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.04 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -66.93 -38.84 86.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.699 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.03 88.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 58.3 mt -62.91 -49.33 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.597 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.504 HG21 ' O ' ' A' ' 8' ' ' PHE . 71.2 mt -61.44 -39.72 83.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.812 0.339 . . . . 0.0 111.17 -178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.444 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 33.8 ttp180 -68.64 -43.53 76.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.778 0.323 . . . . 0.0 111.361 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.86 -25.72 34.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.064 0.459 . . . . 0.0 111.423 -173.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.7 p -124.25 94.49 4.23 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.617 0.722 . . . . 0.0 109.754 173.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.2 m -73.84 -1.49 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.108 -0.951 . . . . 0.0 112.791 -170.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -74.41 1.33 11.98 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.203 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -94.96 -2.84 49.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.249 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.9 m -74.38 99.36 3.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.875 0.369 . . . . 0.0 110.296 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -93.89 -46.76 3.06 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.401 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.0 t -102.85 101.24 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.78 0.324 . . . . 0.0 110.556 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 33.8 tttp -135.61 26.14 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.055 0.455 . . . . 0.0 110.79 -176.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 63.91 -159.84 0.3 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.976 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -128.1 34.5 2.94 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 174.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.499 -0.763 . . . . 0.0 110.596 -175.017 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.1 mmm . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.541 0.21 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.5 m -74.82 -45.36 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.082 0.468 . . . . 0.0 111.183 -175.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 2.0 p80 -102.09 143.09 32.36 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.587 -178.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.583 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.9 t60 -110.74 116.56 31.51 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 175.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -102.87 135.64 44.17 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' CD ' HH21 ' A' ' 57' ' ' ARG . 33.1 tt0 -159.54 140.36 12.43 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.487 -174.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.3 t -117.0 114.75 46.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -110.55 107.67 17.38 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.037 -177.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 58.53 10.73 1.47 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.28 0.632 . . . . 0.0 112.524 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.28 -13.55 8.93 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.712 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.12 146.98 19.37 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.969 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 m -101.28 116.63 33.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.745 0.307 . . . . 0.0 110.77 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.5 mt -99.08 120.19 48.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 110.062 -0.347 . . . . 0.0 110.062 178.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -116.63 102.4 9.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.04 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.583 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 64.5 mt -113.18 123.22 68.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 C-N-CA 121.182 -0.207 . . . . 0.0 110.607 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 20' ' ' SER . 2.3 tm-20 -118.41 131.07 56.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.467 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 36.0 t70 57.46 24.45 10.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.623 172.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.467 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 5.6 t70 74.64 -48.37 0.65 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.354 0.661 . . . . 0.0 112.46 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.4 m -94.98 -14.63 24.21 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -171.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 16' ' ' GLU . 36.8 m -92.3 97.86 11.14 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 65.8 tp -108.02 123.97 49.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.284 0.564 . . . . 0.0 112.05 -172.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.03 142.11 44.39 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.509 176.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.526 HD12 HG13 ' A' ' 28' ' ' ILE . 63.3 mt -125.2 117.28 49.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.9 m120 59.33 26.56 15.44 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.894 -177.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.49 -8.12 77.27 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.775 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -94.56 127.45 40.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.86 111.98 4.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.549 176.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.526 HG13 HD12 ' A' ' 23' ' ' ILE . 49.3 mm -100.68 99.53 8.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.227 0.537 . . . . 0.0 109.927 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -95.46 124.02 39.28 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.177 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -88.19 154.22 20.61 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 172.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.6 t -93.35 98.79 8.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.995 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 174.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.81 19.83 16.46 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.863 -173.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.43 ' CG ' ' HD3' ' A' ' 36' ' ' LYS . 9.5 t70 -128.05 143.31 51.07 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.865 -1.061 . . . . 0.0 109.738 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.36 -13.45 19.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.775 0.321 . . . . 0.0 111.605 -175.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.9 t -83.6 -31.1 8.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.242 0.544 . . . . 0.0 109.892 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.43 ' HD3' ' CG ' ' A' ' 33' ' ' ASP . 13.1 mptt -77.1 -13.36 59.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.03 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.1 m120 71.96 166.19 0.3 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.573 177.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt 61.21 75.63 0.4 Allowed 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.698 -178.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -73.33 162.83 28.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.869 -175.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' A' ' 45' ' ' PRO . 21.0 m 75.65 -168.76 0.08 Allowed 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.663 0.785 . . . . 0.0 110.923 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.2 p -78.81 151.4 31.96 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 177.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -85.39 22.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.615 0.722 . . . . 0.0 110.306 175.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -114.08 -51.54 2.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 172.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 59' ' ' ILE . 8.1 mp -124.43 86.44 55.04 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.528 172.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.514 ' HA ' ' HB2' ' A' ' 40' ' ' SER . 72.4 Cg_endo -89.06 133.29 2.4 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.785 2.323 . . . . 0.0 112.767 -179.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.481 ' HD1' ' HB2' ' A' ' 45' ' ' PRO . 59.3 m-85 68.7 12.4 8.66 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.505 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -80.01 170.31 16.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.341 178.071 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.427 ' H ' HG22 ' A' ' 47' ' ' THR . 31.7 mm-40 -94.78 108.42 20.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.29 0.567 . . . . 0.0 111.438 -175.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.421 ' CD2' ' HG ' ' A' ' 55' ' ' LEU . 17.8 p90 -131.31 143.81 50.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.877 174.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -91.58 -36.48 13.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.128 0.49 . . . . 0.0 111.391 -175.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.492 ' H ' ' HB3' ' A' ' 54' ' ' ASP . 24.0 t -137.77 167.0 22.61 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.288 -176.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.98 -42.17 99.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.807 0.337 . . . . 0.0 110.76 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.425 HD23 HD11 ' A' ' 15' ' ' ILE . 3.1 tm? -67.66 -35.22 78.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.225 0.536 . . . . 0.0 109.639 178.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.492 ' HB3' ' H ' ' A' ' 51' ' ' SER . 36.1 t70 -64.33 -36.08 82.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.101 177.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HG ' ' CD2' ' A' ' 49' ' ' TYR . 1.7 tt -63.9 -47.23 81.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.998 176.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.72 -43.16 80.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.002 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.405 HH21 ' CD ' ' A' ' 6' ' ' GLU . 97.2 mtt180 -66.02 -39.55 90.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.561 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.85 -38.18 81.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.895 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.491 ' HA ' HD13 ' A' ' 44' ' ' LEU . 79.3 mt -62.61 -49.19 84.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.63 -39.81 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.203 0.525 . . . . 0.0 110.523 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -62.11 -32.31 72.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.517 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -95.15 -6.51 41.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.7 -173.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.4 p -116.32 175.87 5.36 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.114 0.483 . . . . 0.0 111.596 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.2 t -121.12 -32.72 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.222 176.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.22 -25.73 67.04 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.478 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -80.08 73.65 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.549 0.69 . . . . 0.0 110.036 175.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.1 t -170.31 111.38 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.791 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.94 -83.5 1.72 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.295 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.4 t -96.42 86.63 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.311 0.577 . . . . 0.0 109.565 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -112.54 110.11 20.09 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.896 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -122.41 179.72 4.48 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.436 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.43 176.16 38.79 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.846 -0.693 . . . . 0.0 111.849 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.362 -0.828 . . . . 0.0 109.213 179.508 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 120.701 0.286 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.5 ' HB ' ' HA ' ' A' ' 17' ' ' ASP . 39.9 p -96.02 -8.67 32.96 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.279 0.561 . . . . 0.0 110.375 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -88.71 111.37 21.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.486 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.609 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 78.3 t60 -96.31 120.41 36.55 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 176.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -125.01 142.02 51.76 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.62 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.55 153.1 22.61 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.979 175.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.4 t -105.37 114.35 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.865 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.535 ' HB3' HD12 ' A' ' 60' ' ' ILE . 31.8 t80 -109.82 107.54 17.55 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 53.89 28.69 8.78 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.09 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.62 -1.2 61.66 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.659 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -97.78 141.88 15.84 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.637 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -90.31 119.77 30.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.788 0.328 . . . . 0.0 110.994 -177.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.428 HD12 ' HB1' ' A' ' 56' ' ' ALA . 41.7 mm -98.0 119.84 46.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.905 176.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.86 107.53 14.72 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.367 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.609 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 68.1 mt -116.31 119.95 63.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.433 -0.581 . . . . 0.0 109.433 174.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -110.77 144.2 40.12 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.404 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.5 ' HA ' ' HB ' ' A' ' 2' ' ' THR . 25.3 t70 57.95 29.03 17.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.192 171.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 t70 70.65 -6.86 1.14 Allowed 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.365 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 p -132.11 -42.08 0.99 Allowed 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -170.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 50.9 m -67.01 122.72 18.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.859 0.362 . . . . 0.0 111.354 -176.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.48 HD22 HG12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -107.33 116.92 32.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.735 -175.097 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -135.6 138.52 43.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.545 175.64 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.445 HD11 ' HA ' ' A' ' 56' ' ' ALA . 61.5 mt -135.57 128.34 47.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 65.52 14.31 9.4 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.581 0.705 . . . . 0.0 110.972 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.04 5.09 68.28 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.924 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -110.4 134.76 52.01 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.521 ' HA ' HG22 ' A' ' 22' ' ' THR . 35.9 tt0 -74.91 142.28 44.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.015 0.436 . . . . 0.0 110.85 -177.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 42.4 mm -107.98 98.56 7.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.477 176.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.4 m -76.04 112.19 12.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.378 0.609 . . . . 0.0 111.94 -176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -96.02 -171.64 2.38 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.878 -1.056 . . . . 0.0 108.976 171.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 33' ' ' ASP . 6.3 p -105.36 97.45 5.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-O 121.731 0.777 . . . . 0.0 109.372 173.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -76.56 101.65 5.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.784 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' O ' HG22 ' A' ' 31' ' ' VAL . 6.2 t70 63.13 -169.71 0.19 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.428 -174.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 53.46 56.24 7.6 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.381 0.61 . . . . 0.0 110.362 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.97 -21.53 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 115.062 -0.972 . . . . 0.0 112.067 -173.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -56.97 -19.92 20.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.775 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -82.26 59.36 4.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 0.0 110.073 176.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.487 ' HB3' ' NZ ' ' A' ' 38' ' ' LYS . 6.0 ttpm? -81.72 85.19 6.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.059 -176.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -129.8 19.86 5.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.638 177.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.4 m 66.82 178.43 0.22 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.068 -172.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.438 ' O ' ' HB2' ' A' ' 42' ' ' ARG . 1.4 m -68.17 -74.15 0.13 Allowed 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 174.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 41' ' ' SER . 15.7 ttm180 173.48 -58.07 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.759 171.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -55.06 -42.6 72.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.896 -173.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.497 ' HB3' HG21 ' A' ' 47' ' ' THR . 8.6 mp -123.62 87.19 52.44 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.693 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -80.02 158.68 23.9 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.531 2.154 . . . . 0.0 112.047 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 58.04 38.41 26.67 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 111.457 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.497 HG21 ' HB3' ' A' ' 44' ' ' LEU . 7.2 p -113.65 170.75 8.02 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -125.94 110.45 13.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.131 0.491 . . . . 0.0 111.199 -177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CE2' HD23 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -161.95 171.55 17.46 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.757 178.541 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -146.69 -1.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 111.246 177.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.2 t -114.75 146.51 40.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.622 0.249 . . . . 0.0 110.882 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -69.47 -37.74 77.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.424 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.43 -45.85 85.74 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.83 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.25 -47.25 86.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.186 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.53 HD23 ' CE2' ' A' ' 49' ' ' TYR . 2.6 tm? -61.89 -48.23 81.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.714 179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' HA ' HD11 ' A' ' 23' ' ' ILE . . . -56.44 -46.25 80.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.194 0.521 . . . . 0.0 111.089 -178.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -72.0 -32.53 67.28 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.164 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.84 -35.47 80.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.583 0.23 . . . . 0.0 111.165 178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 55' ' ' LEU . 56.9 mt -63.41 -50.22 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.558 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 8' ' ' PHE . 62.6 mt -64.56 -37.69 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.429 0.633 . . . . 0.0 109.89 178.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -58.66 -35.53 72.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.77 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -101.59 -26.33 13.57 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.8 p -126.28 121.16 31.84 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.17 0.509 . . . . 0.0 110.949 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 m -82.13 -11.77 12.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.11 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -70.65 -2.1 13.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -98.11 3.3 49.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.139 0.495 . . . . 0.0 110.599 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.9 t -86.03 154.93 21.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 172.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.48 -102.8 0.06 OUTLIER Glycine 0 C--N 1.329 0.19 0 C-N-CA 121.057 -0.592 . . . . 0.0 113.074 -176.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -78.4 103.78 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.839 0.352 . . . . 0.0 110.15 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -118.01 100.11 7.34 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -173.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.68 -29.58 16.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 167.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.35 -176.05 53.66 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.352 -0.84 . . . . 0.0 113.023 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.251 1.182 0 C-N-CA 122.978 0.511 . . . . 0.0 111.36 176.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.848 0.356 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.9 m -79.62 117.24 20.37 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 p-80 -110.11 134.24 52.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.922 0.392 . . . . 0.0 110.357 -177.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.548 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 82.4 t60 -118.81 117.36 28.68 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 176.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -110.74 125.05 53.1 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.291 176.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -142.8 141.22 31.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.519 -175.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.2 t -106.19 124.94 61.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.002 0.429 . . . . 0.0 110.723 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -121.47 108.38 13.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.782 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 58.34 23.71 10.81 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.143 177.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.9 -20.59 28.83 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.345 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.26 136.62 14.32 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.958 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.1 m -89.27 127.94 35.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.897 0.38 . . . . 0.0 110.993 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.491 HG22 HG13 ' A' ' 15' ' ' ILE . 67.0 mt -98.62 119.08 46.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.597 174.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -107.0 103.83 13.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.065 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.548 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 61.6 mt -114.03 120.78 64.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.842 0.353 . . . . 0.0 110.476 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.894 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 31.2 mt-10 -122.18 123.55 41.77 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.759 178.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 65.77 14.19 9.4 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.335 0.588 . . . . 0.0 111.464 171.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 66.31 6.36 4.22 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.383 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -118.69 -37.22 3.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 0.0 111.27 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.894 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 30.9 t -80.47 116.49 20.55 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.633 ' HG ' ' OH ' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -120.68 116.6 25.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.119 0.485 . . . . 0.0 110.007 -179.27 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.66 131.74 36.11 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.902 177.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.41 HG22 ' HB3' ' A' ' 66' ' ' PHE . 64.7 mt -116.41 121.24 67.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 176.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 71.9 -12.94 0.62 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.43 0.692 . . . . 0.0 110.789 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 23' ' ' ILE . . . 120.73 4.33 10.63 Favored Glycine 0 N--CA 1.449 -0.475 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 -174.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -106.85 132.98 52.2 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.31 135.21 50.11 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.929 0.395 . . . . 0.0 110.828 -174.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.408 HG13 HG13 ' A' ' 23' ' ' ILE . 40.3 mm -111.16 114.05 46.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.652 -178.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.3 t -113.1 150.7 31.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.975 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.633 ' OH ' ' HG ' ' A' ' 21' ' ' LEU . 8.0 m-85 -126.02 160.43 30.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 p -93.04 85.12 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 165.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.05 21.25 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.129 -0.941 . . . . 0.0 112.108 -163.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -132.89 126.8 32.97 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.11 147.5 25.89 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.984 -175.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.4 t -110.6 -37.14 2.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.331 176.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -88.82 9.65 23.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.684 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.2 m120 64.4 -163.54 0.26 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.676 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.854 ' HA ' ' HB3' ' A' ' 48' ' ' GLN . 98.1 mttt 59.2 50.44 7.96 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.156 0.503 . . . . 0.0 111.284 -179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -82.5 153.11 25.75 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.665 176.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 45' ' ' PRO . 69.1 m -152.27 -178.33 6.74 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.106 0.479 . . . . 0.0 111.202 -176.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.546 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 5.9 p -83.65 -77.29 0.26 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.156 177.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? 175.14 -37.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.953 -176.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -86.68 -27.62 23.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.394 -177.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.8 mp -128.14 76.65 77.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.148 174.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.464 ' HA ' ' CB ' ' A' ' 40' ' ' SER . 65.5 Cg_endo -95.41 78.06 0.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 123.032 2.488 . . . . 0.0 112.73 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -149.77 -63.01 0.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.665 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.1 p -92.69 143.58 26.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.777 -177.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.854 ' HB3' ' HA ' ' A' ' 38' ' ' LYS . 9.3 pt20 -90.15 111.22 22.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.608 0.718 . . . . 0.0 110.151 178.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.509 ' CD1' ' HG ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -112.24 147.58 35.93 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.189 -179.443 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -119.29 -31.51 4.64 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -174.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.584 ' HB2' ' CB ' ' A' ' 54' ' ' ASP . 22.4 m -76.73 129.85 36.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.04 -178.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.68 -41.47 97.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.865 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.641 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 4.3 mm? -69.24 -41.45 76.96 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.281 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.584 ' CB ' ' HB2' ' A' ' 51' ' ' SER . 38.4 t70 -58.23 -43.92 88.01 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.495 0.664 . . . . 0.0 109.996 178.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.509 ' HG ' ' CD1' ' A' ' 49' ' ' TYR . 1.4 tt -64.14 -49.62 71.43 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.454 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.12 -46.81 87.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.313 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 53' ' ' LEU . 10.1 mtm180 -61.91 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.466 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.18 92.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -178.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.6 -48.27 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.988 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.0 mt -65.86 -39.54 84.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 110.755 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -69.12 -31.79 70.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.099 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -86.23 -25.58 25.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.997 0.427 . . . . 0.0 112.11 -175.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.2 p -109.44 170.58 7.97 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.364 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.87 -23.04 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -62.01 -50.32 72.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.41 ' HB3' HG22 ' A' ' 23' ' ' ILE . 97.8 m-85 -74.35 -17.89 60.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.367 -175.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 m -74.25 -46.89 38.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.909 0.385 . . . . 0.0 110.011 176.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.35 63.97 4.27 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.13 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 p -70.95 94.63 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.804 0.811 . . . . 0.0 110.889 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -72.65 -42.76 64.03 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.398 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -60.59 -60.84 3.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.83 -175.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.93 147.28 5.62 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.551 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.6 m . . . . . 0 C--O 1.253 1.256 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.811 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.414 ' HB3' ' H ' ' A' ' 2' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.414 ' H ' ' HB3' ' A' ' 1' ' ' MET . 95.6 m -70.35 -28.21 64.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.93 0.395 . . . . 0.0 110.419 178.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.603 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 35.3 m80 -96.6 128.3 43.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.604 176.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.418 ' HB3' HD12 ' A' ' 15' ' ' ILE . 40.2 t60 -98.75 117.65 33.71 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 172.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.18 123.16 37.39 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.207 178.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.41 ' CD ' HH21 ' A' ' 57' ' ' ARG . 31.6 tt0 -160.16 142.04 12.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.49 -176.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.3 t -122.29 117.3 51.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 173.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.426 ' O ' HG21 ' A' ' 60' ' ' ILE . 41.1 t80 -110.84 107.71 17.29 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.529 -175.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 51.36 30.61 6.24 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 174.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 67' ' ' SER . . . 119.83 -33.53 4.56 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.875 178.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.66 139.48 14.76 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.812 -174.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.4 m -89.2 128.89 35.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.701 0.286 . . . . 0.0 110.75 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.8 mt -103.02 120.66 53.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.973 0.416 . . . . 0.0 110.376 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.29 123.57 49.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.391 176.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 62.3 mt -124.36 126.43 71.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.137 -175.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 1.126 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 20.3 mm-40 -108.95 105.55 15.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.53 173.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 18' ' ' ASP . 11.2 t70 60.57 18.67 8.57 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 123.543 0.527 . . . . 0.0 111.335 171.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 17' ' ' ASP . 1.2 m-20 74.14 -42.07 0.5 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.888 0.875 . . . . 0.0 112.482 -177.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.29 -15.44 60.97 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -176.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 1.126 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 7.9 t -114.91 95.63 5.31 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 176.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.575 ' HB3' ' HE1' ' A' ' 30' ' ' TYR . 63.3 tp -98.96 122.05 41.71 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.007 0.432 . . . . 0.0 111.083 -177.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 p -129.31 121.93 28.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.755 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.1 mt -103.96 112.03 35.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.402 ' HA ' HD22 ' A' ' 24' ' ' ASN . 1.3 t-20 54.24 30.44 12.36 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.881 -176.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.99 -23.66 32.97 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.699 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -79.02 121.98 25.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.831 0.348 . . . . 0.0 110.513 -177.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -79.55 129.77 34.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.092 0.472 . . . . 0.0 110.042 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 32.6 mm -101.43 147.46 8.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.868 -172.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' ' 41' ' ' SER . 24.3 t -94.48 158.62 15.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 174.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.575 ' HE1' ' HB3' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -135.26 149.43 49.83 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.562 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.522 ' HB ' ' HA ' ' A' ' 40' ' ' SER . 3.9 p -101.01 101.4 12.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.827 0.822 . . . . 0.0 110.447 176.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -110.52 34.62 3.84 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.561 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -125.5 135.23 52.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.531 177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -115.17 0.32 13.52 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.067 -177.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.9 t -92.46 -49.23 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.361 0.6 . . . . 0.0 109.951 -178.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -92.54 -36.84 12.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.03 178.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 62.52 25.25 15.04 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.558 -177.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.641 ' HG2' ' H ' ' A' ' 39' ' ' TRP . 24.9 ttmt -101.85 -164.85 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.447 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.641 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 31.9 m95 72.44 -67.52 0.26 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.003 0.521 . . . . 0.0 110.652 -175.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.522 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 26.1 m 64.8 -175.97 0.17 Allowed 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.784 0.677 . . . . 0.0 111.249 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 29' ' ' SER . 9.0 m -83.47 -0.15 48.91 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.812 -176.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 70.88 -55.29 0.65 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.316 0.647 . . . . 0.0 111.613 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -84.7 -4.99 59.29 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.957 0.408 . . . . 0.0 111.014 -178.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.726 ' HB2' HG12 ' A' ' 59' ' ' ILE . 13.2 tp -137.8 143.98 42.4 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 177.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD2' ' HG ' ' A' ' 44' ' ' LEU . 37.7 Cg_exo -63.21 -169.57 0.09 OUTLIER 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 123.248 2.632 . . . . 0.0 113.767 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -81.87 18.61 1.25 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.651 -176.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.1 p -65.4 158.08 27.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.965 0.412 . . . . 0.0 111.481 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -74.92 104.64 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.334 0.588 . . . . 0.0 112.455 -174.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.46 ' CE2' HD23 ' A' ' 44' ' ' LEU . 0.6 OUTLIER -122.97 170.49 10.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.534 167.308 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -127.56 -52.98 1.36 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -172.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.4 p -112.55 164.09 13.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.356 -171.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.53 -40.62 80.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.65 -46.45 85.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.14 0.495 . . . . 0.0 109.726 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.08 -45.95 92.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.561 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 59' ' ' ILE . 2.7 tm? -56.79 -48.36 78.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.889 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' HB2' HD21 ' A' ' 21' ' ' LEU . . . -57.2 -49.89 74.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.511 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.41 HH21 ' CD ' ' A' ' 6' ' ' GLU . 97.5 mtt180 -67.77 -37.91 82.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.949 -179.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.89 -40.3 92.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.115 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.726 HG12 ' HB2' ' A' ' 44' ' ' LEU . 51.7 mt -63.03 -49.84 81.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.652 0.263 . . . . 0.0 110.631 178.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.426 HG21 ' O ' ' A' ' 8' ' ' PHE . 70.2 mt -64.81 -39.55 86.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.225 0.536 . . . . 0.0 110.779 -178.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -66.76 -30.1 70.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.731 -177.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -100.46 -21.06 15.49 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -171.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.7 p -103.04 156.52 17.63 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.946 0.403 . . . . 0.0 111.119 -177.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.5 m -90.66 -30.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.126 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.85 -35.16 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.648 -176.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.418 ' HB3' HG12 ' A' ' 60' ' ' ILE . 76.4 m-85 -86.34 -21.68 27.11 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.155 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.402 ' O ' ' HA3' ' A' ' 10' ' ' GLY . 32.7 t -72.51 -43.15 63.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 174.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.95 -57.91 3.65 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.77 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -134.61 128.58 51.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.4 0.619 . . . . 0.0 112.492 -173.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -141.68 151.49 43.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.058 172.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -97.92 -36.23 10.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.747 0.308 . . . . 0.0 110.736 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -127.31 -157.04 9.32 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.248 -177.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.249 1.051 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -176.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.4 ttm . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.853 0.358 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.1 m -82.35 125.78 31.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.674 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -129.98 136.33 49.31 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.566 ' HB3' ' HB ' ' A' ' 15' ' ' ILE . 75.6 t60 -100.32 125.67 46.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 -179.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -114.13 142.16 46.58 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.985 0.421 . . . . 0.0 110.299 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.654 ' HB3' ' HB ' ' A' ' 13' ' ' ILE . 7.6 tp10 -155.76 145.47 21.2 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.79 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.8 t -123.27 120.05 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.438 ' HE2' ' HB2' ' A' ' 61' ' ' ARG . 10.0 t80 -128.56 111.2 12.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.288 -176.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.41 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 9.2 mm-40 57.0 30.74 18.68 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.823 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.32 -8.17 69.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.345 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.5 147.23 18.55 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.434 ' HB ' ' HA ' ' A' ' 24' ' ' ASN . 15.7 m -102.76 139.04 38.85 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.043 -176.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.654 ' HB ' ' HB3' ' A' ' 6' ' ' GLU . 58.4 mt -108.49 120.12 59.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 173.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -117.24 104.62 11.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.82 -176.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.566 ' HB ' ' HB3' ' A' ' 4' ' ' HIS . 65.2 mt -116.24 122.54 69.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 O-C-N 122.064 -0.398 . . . . 0.0 111.344 -178.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.696 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 1.7 mp0 -102.11 125.46 48.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.724 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 t70 62.5 14.31 6.89 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.339 0.59 . . . . 0.0 111.317 173.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.8 t70 66.92 9.63 6.99 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.165 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -119.89 -47.41 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.688 -174.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.696 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 22.3 t -78.75 124.96 28.74 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.807 ' HG ' ' HE2' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -108.52 116.83 32.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.152 0.501 . . . . 0.0 110.81 -175.84 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 137.55 42.63 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.728 172.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.6 mt -116.81 108.42 24.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.434 ' HA ' ' HB ' ' A' ' 12' ' ' THR . 61.6 t30 62.34 28.04 16.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.595 0.712 . . . . 0.0 110.35 178.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.77 2.14 69.93 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.517 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -103.07 123.14 46.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.81 128.69 37.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.599 ' HB ' HD12 ' A' ' 21' ' ' LEU . 44.8 mm -108.59 132.85 55.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 -176.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 m -95.54 115.49 27.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.19 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.807 ' HE2' ' HG ' ' A' ' 21' ' ' LEU . 56.5 m-85 -118.43 170.6 8.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.967 173.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.1 t -75.38 87.49 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.258 0.552 . . . . 0.0 109.595 175.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' C ' ' H ' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -103.66 96.54 6.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 -178.792 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.1 t70 73.47 -26.11 0.19 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.562 0.745 . . . . 0.0 112.696 174.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' A' ' 32' ' ' HIS . . . -101.96 106.68 17.64 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.476 -179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.6 t -76.29 -24.99 16.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.351 0.596 . . . . 0.0 110.158 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -85.4 0.62 51.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.425 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -85.5 55.97 3.75 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.4 tptt 67.38 162.88 0.19 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.105 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -105.97 133.16 51.13 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.946 -0.471 . . . . 0.0 110.644 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.0 m 73.2 169.41 0.31 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.492 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 44' ' ' LEU . 4.0 m -66.17 148.27 52.08 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.782 -179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.501 ' O ' ' HD3' ' A' ' 42' ' ' ARG . 0.3 OUTLIER -68.55 -47.93 65.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.093 0.473 . . . . 0.0 110.915 -176.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -86.66 17.45 3.93 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.121 -176.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 41' ' ' SER . 16.5 tp -140.66 143.97 34.39 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.498 ' HD2' HD12 ' A' ' 44' ' ' LEU . 38.6 Cg_endo -68.58 -179.15 2.22 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.499 2.133 . . . . 0.0 112.613 177.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -84.5 43.8 0.99 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.159 -176.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -76.93 171.07 15.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.314 179.637 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.411 ' H ' HG22 ' A' ' 47' ' ' THR . 7.4 pt20 -101.97 113.44 26.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.31 0.576 . . . . 0.0 109.907 178.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -120.68 -173.23 2.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.002 -175.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -115.45 -67.46 0.99 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -173.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.469 ' H ' ' HB3' ' A' ' 54' ' ' ASP . 2.6 p -134.09 -176.55 4.23 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -169.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.96 -43.45 62.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -174.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -64.87 -37.86 89.05 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 177.583 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.469 ' HB3' ' H ' ' A' ' 51' ' ' SER . 19.2 t70 -62.08 -44.62 96.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.422 174.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.8 mt -57.83 -51.28 70.24 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.525 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' O ' HG13 ' A' ' 60' ' ' ILE . . . -57.1 -47.03 82.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.17 -177.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -66.93 -32.6 73.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.185 -178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.16 -36.77 72.14 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.187 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.6 mt -68.72 -44.87 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.683 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 56' ' ' ALA . 70.4 mt -68.44 -43.42 84.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -175.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.438 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 5.0 ttp180 -71.96 -43.26 65.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -169.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.65 14.92 13.78 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -171.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.8 p -126.18 170.73 11.52 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 175.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.0 t -113.12 -6.14 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.609 0.718 . . . . 0.0 109.754 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -87.84 0.78 55.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.246 -173.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -126.52 16.4 7.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.3 t -144.47 155.75 43.86 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.39 -57.02 0.41 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.982 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.6 t -86.24 111.37 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.822 0.344 . . . . 0.0 110.135 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -88.11 -58.85 2.41 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.938 -175.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 65.15 96.4 0.05 OUTLIER 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.77 0.669 . . . . 0.0 110.623 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.82 116.2 3.32 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.871 -0.681 . . . . 0.0 111.689 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.281 -0.866 . . . . 0.0 109.879 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttm . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 m -101.87 3.38 39.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.782 -171.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.4 m80 -89.03 106.47 18.46 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.712 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -98.67 126.18 44.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.219 178.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.518 ' HA ' ' O ' ' A' ' 13' ' ' ILE . 2.5 m -129.63 141.37 50.95 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.773 175.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -159.22 161.64 36.11 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.174 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.1 t -112.71 127.23 70.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.796 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.402 ' HE2' ' HB2' ' A' ' 61' ' ' ARG . 39.4 t80 -118.12 107.41 13.94 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 176.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 55.04 20.56 3.29 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.095 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.32 -29.46 6.42 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.377 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.96 135.04 13.98 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.895 -178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.0 m -96.42 124.85 40.55 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.992 0.425 . . . . 0.0 111.44 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.518 ' O ' ' HA ' ' A' ' 5' ' ' THR . 71.2 mt -98.77 120.26 47.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.545 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -112.4 124.36 52.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.737 176.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.8 mt -110.32 120.0 60.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.216 0.532 . . . . 0.0 110.604 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.888 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 34.3 mm-40 -111.98 124.87 53.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.137 -179.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.468 ' O ' ' HB3' ' A' ' 18' ' ' ASP . 34.1 t70 57.34 23.92 9.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.568 173.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.468 ' HB3' ' O ' ' A' ' 17' ' ' ASP . 13.9 t70 73.48 -24.7 0.2 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.104 177.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.4 p -103.64 -37.93 7.32 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.888 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 7.7 t -78.51 114.99 17.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.115 0.483 . . . . 0.0 110.349 -177.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.425 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . 0.6 OUTLIER -103.52 118.22 36.24 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.411 179.336 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 26' ' ' LYS . 1.2 p -126.59 120.27 29.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.016 0.436 . . . . 0.0 111.066 178.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.4 HD11 ' HB1' ' A' ' 56' ' ' ALA . 83.1 mt -112.54 116.41 52.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 56.31 23.01 6.77 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.971 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.48 -0.74 58.36 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.816 -0.707 . . . . 0.0 113.123 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 22' ' ' THR . 14.1 mptt -95.43 138.87 32.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.006 0.403 . . . . 0.0 110.647 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -87.99 115.07 25.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.476 -177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.425 ' HB ' ' HB3' ' A' ' 21' ' ' LEU . 47.0 mm -102.96 135.88 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.336 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.8 t -136.65 158.65 43.94 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -117.49 157.31 26.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.19 -175.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.7 t -82.09 93.21 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 168.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -108.94 14.41 24.14 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.677 -170.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -99.07 -12.91 20.11 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.834 -176.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.587 ' HB3' ' HD1' ' A' ' 39' ' ' TRP . . . -66.12 109.06 2.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.479 -176.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.2 t -72.58 -36.17 52.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.527 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -88.06 27.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.76 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.1 m120 68.93 23.6 6.66 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.553 171.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.559 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 28.0 mmmt -78.68 36.56 0.27 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.558 176.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.587 ' HD1' ' HB3' ' A' ' 34' ' ' ALA . 35.9 m0 -68.85 117.24 10.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.325 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.1 m -153.05 173.55 15.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.06 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.5 p -123.54 147.56 47.15 Favored 'General case' 0 N--CA 1.437 -1.091 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 171.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.9 ptt180 -71.86 5.08 2.79 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.307 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.52 ' HB2' HD22 ' A' ' 44' ' ' LEU . 62.0 m-85 -97.42 -28.25 14.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.266 -178.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.52 HD22 ' HB2' ' A' ' 43' ' ' TYR . 2.8 mm? -115.94 88.05 20.39 Favored Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.077 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.12 139.69 61.99 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.619 2.212 . . . . 0.0 112.374 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 69.05 7.79 6.45 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.652 178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 61.4 p 54.93 133.96 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.843 1.257 . . . . 0.0 113.531 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.449 ' HG2' ' HB3' ' A' ' 44' ' ' LEU . 18.5 pt20 -152.35 31.68 0.53 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.055 -176.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -134.53 156.41 48.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.065 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -84.74 -57.39 3.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.678 -178.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.404 ' H ' ' HB2' ' A' ' 54' ' ' ASP . 8.4 t -142.47 -164.61 1.86 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.47 -51.01 70.46 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -173.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.98 -40.71 94.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.202 0.525 . . . . 0.0 110.181 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.404 ' HB2' ' H ' ' A' ' 51' ' ' SER . 18.5 m-20 -68.64 -32.25 71.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.575 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 59' ' ' ILE . 8.3 tt -56.84 -45.89 82.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.988 177.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.4 ' HB1' HD11 ' A' ' 23' ' ' ILE . . . -62.4 -43.17 99.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.935 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.81 -34.92 76.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.127 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.23 -38.06 87.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.578 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 55' ' ' LEU . 66.2 mt -62.77 -50.28 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.352 178.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 68.4 mt -59.92 -40.01 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.431 -176.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.402 ' HB2' ' HE2' ' A' ' 8' ' ' PHE . 27.7 ttt180 -79.36 -36.63 39.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -177.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -85.09 -25.9 27.26 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.468 -0.493 . . . . 0.0 112.123 -171.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.9 p -112.97 122.19 46.91 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-O 121.343 0.592 . . . . 0.0 110.369 178.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.73 -28.36 41.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.879 -173.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.91 -28.49 68.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.282 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -82.82 -4.22 57.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.872 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.3 m -95.58 -0.62 51.72 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 172.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.15 146.57 50.26 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.478 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.2 t 59.86 84.18 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-O 121.687 0.756 . . . . 0.0 110.229 -173.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -141.14 157.64 45.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.113 -175.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -126.14 -41.63 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.83 0.348 . . . . 0.0 110.333 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.45 -142.42 37.1 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.045 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.572 -0.727 . . . . 0.0 109.448 178.38 . . . . . . . . 0 0 . 1 stop_ save_